data_1dv5_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 1dv5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' CB ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 6' ' ' ILE . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG23 ' CD2' ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.526 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.531 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.484 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.514 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HE3' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.467 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.538 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.538 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.582 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 77' ' ' VAL . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.612 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.612 ' CD2' ' CG2' ' A' ' 34' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 42' ' ' THR . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.444 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.609 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 24' ' ' LYS . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.436 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.509 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' CE ' ' HD2' ' A' ' 65' ' ' LYS . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CG1' HG13 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' CG1' HG22 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 53' ' ' PHE . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.49 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.434 ' HB ' ' ND2' ' A' ' 71' ' ' ASN . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 53' ' ' PHE . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 53' ' ' PHE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASN . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 17' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.569 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 14' ' ' LEU . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' HD21 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD21 ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' CE2' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.518 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.463 HG13 ' CG1' ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 53' ' ' PHE . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 59' ' ' VAL . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 56' ' ' ASP . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.407 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.502 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.705 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 45.3 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 10' ' ' VAL . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 29' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.574 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CE2' ' A' ' 53' ' ' PHE . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' A' ' 49' ' ' LEU . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 49' ' ' LEU . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.566 ' HB2' ' CH2' ' A' ' 67' ' ' TRP . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' HG23 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' H ' ' CE ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.421 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 HD12 ' CG1' ' A' ' 10' ' ' VAL . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 77' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE3' HG12 ' A' ' 73' ' ' ILE . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.44 HG13 ' CG1' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 49' ' ' LEU . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.536 ' CD1' ' CG2' ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.458 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.536 ' CG2' ' CD1' ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.511 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD2' HG13 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.591 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 53' ' ' PHE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' ASN . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.415 ' N ' ' HA ' ' A' ' 50' ' ' GLN . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' ALA . 44.6 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.421 ' NE2' HD13 ' A' ' 6' ' ' ILE . 10.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.706 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' GLN . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 ' CD2' ' A' ' 53' ' ' PHE . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CG2' ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.412 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.631 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.479 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.536 ' CD1' ' HB2' ' A' ' 62' ' ' PHE . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.512 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 53' ' ' PHE . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD1' ' CB ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.531 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' H ' ' CE ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 76' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 57' ' ' ALA . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 7' ' ' LYS . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.644 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.546 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.481 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' N ' HG11 ' A' ' 77' ' ' VAL . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.418 ' N ' HE21 ' A' ' 81' ' ' GLN . 9.8 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 14' ' ' LEU . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 10' ' ' VAL . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CZ2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' CA ' ' A' ' 69' ' ' THR . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.551 HG11 ' CD2' ' A' ' 53' ' ' PHE . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.407 ' N ' HE21 ' A' ' 81' ' ' GLN . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 77' ' ' VAL . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' C ' ' N ' ' A' ' 25' ' ' LYS . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 53' ' ' PHE . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.493 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 6' ' ' ILE . 30.0 mm-40 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' HD12 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' HB3' ' CA ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.568 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 59' ' ' VAL . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.408 HG13 ' CG1' ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.588 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.461 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 24' ' ' LYS . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CD ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 69' ' ' THR . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CD2' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.459 ' CA ' HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.405 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 49' ' ' LEU . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.478 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' N ' HG22 ' A' ' 6' ' ' ILE . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' VAL . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 39' ' ' SER . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB1' ' CH2' ' A' ' 67' ' ' TRP . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.54 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' HG11 ' A' ' 10' ' ' VAL . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 HG21 ' CD2' ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' CA ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 17' ' ' LEU . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' THR . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 53' ' ' PHE . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 49' ' ' LEU . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 60' ' ' SER . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.461 ' OG1' ' NZ ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE1' ' A' ' 53' ' ' PHE . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 53' ' ' PHE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' CB ' ' ND2' ' A' ' 26' ' ' ASN . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' N ' ' CG2' ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.57 ' HB3' ' CH2' ' A' ' 67' ' ' TRP . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.458 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.75 -179.41 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.44 -3.95 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.412 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 37' ' ' LEU . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' CB ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 6' ' ' ILE . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG23 ' CD2' ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.31 86.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 -139.6 12.56 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.531 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.484 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.67 81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 2' ' ' ALA . 13.1 pt-20 -134.98 10.13 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.514 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HE3' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.538 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.538 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.582 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 57.36 168.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.9 -21.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 77' ' ' VAL . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.612 ' CG2' ' CD2' ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.612 ' CD2' ' CG2' ' A' ' 34' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 42' ' ' THR . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.444 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.609 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.64 173.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -6.04 57.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' GLY . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 24' ' ' LYS . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.436 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.509 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' CE ' ' HD2' ' A' ' 65' ' ' LYS . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CG1' HG13 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' CG1' HG22 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.46 -176.39 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -77.89 0.45 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 53' ' ' PHE . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.49 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.434 ' HB ' ' ND2' ' A' ' 71' ' ' ASN . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 60.56 97.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -146.01 17.43 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 ' CD2' ' A' ' 53' ' ' PHE . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 53' ' ' PHE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASN . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 17' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.569 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -144.99 157.72 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.94 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 14' ' ' LEU . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' HD21 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD21 ' CG2' ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' CE2' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.518 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.463 HG13 ' CG1' ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 80.11 51.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 -114.28 -32.25 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 53' ' ' PHE . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 59' ' ' VAL . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 56' ' ' ASP . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.407 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.502 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.705 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 45.3 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.87 125.51 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -7.0 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HG12 ' A' ' 10' ' ' VAL . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 29' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.574 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD23 ' CE2' ' A' ' 53' ' ' PHE . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' A' ' 49' ' ' LEU . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 49' ' ' LEU . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.566 ' HB2' ' CH2' ' A' ' 67' ' ' TRP . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' HG23 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' H ' ' CE ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.421 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.21 -172.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -11.14 14.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD12 ' CG1' ' A' ' 10' ' ' VAL . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG23 ' A' ' 77' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE3' HG12 ' A' ' 73' ' ' ILE . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 HG13 ' CG1' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 49' ' ' LEU . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 57.13 170.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 89.5 -24.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.536 ' CD1' ' CG2' ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.458 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.536 ' CG2' ' CD1' ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.41 174.32 6.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -100.22 -15.78 17.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.511 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD2' HG13 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.591 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 153.24 46.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -10.84 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 53' ' ' PHE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' ASN . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.415 ' N ' ' HA ' ' A' ' 50' ' ' GLN . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' ALA . 44.6 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' NE2' HD13 ' A' ' 6' ' ' ILE . 10.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' ALA . 3.4 m-20 72.64 -158.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.3 -24.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 3' ' ' ASP . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' CD1' ' CG2' ' A' ' 59' ' ' VAL . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.706 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 151.89 20.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 171.56 -32.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' GLN . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 ' CD2' ' A' ' 53' ' ' PHE . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.43 129.37 45.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 -64.41 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG21 ' CZ ' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' O ' ' CG2' ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.571 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.412 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.631 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 5' ' ' ALA . 2.3 m-20 -88.31 -158.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -22.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 3' ' ' ASP . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.479 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' GLN . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.536 ' CD1' ' HB2' ' A' ' 62' ' ' PHE . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.512 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 45.88 73.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.26 -7.46 10.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 53' ' ' PHE . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD1' ' CB ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.531 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' H ' ' CE ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 76' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 57' ' ' ALA . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 7' ' ' LYS . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.644 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.46 82.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 -141.41 14.15 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.546 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.481 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 53' ' ' PHE . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' N ' HG11 ' A' ' 77' ' ' VAL . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.418 ' N ' HE21 ' A' ' 81' ' ' GLN . 9.8 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.89 25.41 11.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.73 -46.29 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 14' ' ' LEU . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 10' ' ' VAL . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 HG11 ' CB ' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.423 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CZ2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.441 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' CB ' HG11 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 116.72 12.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -98.99 -15.89 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' CA ' ' A' ' 69' ' ' THR . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.551 HG11 ' CD2' ' A' ' 53' ' ' PHE . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.407 ' N ' HE21 ' A' ' 81' ' ' GLN . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.12 119.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.71 -12.38 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 77' ' ' VAL . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 22' ' ' ASP . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 18' ' ' THR . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' C ' ' N ' ' A' ' 25' ' ' LYS . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ASN . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 53' ' ' PHE . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.493 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' NE2' HD11 ' A' ' 6' ' ' ILE . 30.0 mm-40 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER 164.96 178.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 6.3 tt0 88.09 -18.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.572 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG1' HD12 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' HB3' ' CA ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.568 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 59' ' ' VAL . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' LEU . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CZ ' HG22 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.408 HG13 ' CG1' ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 64.98 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 -146.29 17.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' CD ' ' A' ' 24' ' ' LYS . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.473 ' CB ' ' HB3' ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CD ' ' HG ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 69' ' ' THR . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CD2' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.459 ' CA ' HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.405 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 49' ' ' LEU . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.53 131.93 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -91.71 -17.65 25.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.478 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -71.97 165.33 24.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 89.48 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.246 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' N ' HG22 ' A' ' 6' ' ' ILE . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' VAL . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' CB ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 30' ' ' ASN . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 39' ' ' SER . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.414 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 6' ' ' ILE . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB1' ' CH2' ' A' ' 67' ' ' TRP . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -85.35 179.6 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -18.89 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' HG11 ' A' ' 10' ' ' VAL . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 HG21 ' CD2' ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.602 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' CB ' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' CA ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.452 HG12 ' CG1' ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 154.77 39.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -17.91 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 HG23 ' CZ ' ' A' ' 53' ' ' PHE . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 17' ' ' LEU . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 42' ' ' THR . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 53' ' ' PHE . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 49' ' ' LEU . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 60' ' ' SER . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.461 ' OG1' ' NZ ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.3 151.03 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -6.32 59.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.194 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE1' ' A' ' 53' ' ' PHE . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG21 ' CE2' ' A' ' 53' ' ' PHE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.463 ' HB ' ' CD2' ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' CB ' ' ND2' ' A' ' 26' ' ' ASN . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' N ' ' CG2' ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HG ' ' CD1' ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 77' ' ' VAL . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.57 ' HB3' ' CH2' ' A' ' 67' ' ' TRP . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.458 ' CB ' ' CG2' ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.728 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' HD22 ' A' ' 36' ' ' LEU . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.672 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 68' ' ' ASP . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 18' ' ' THR . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' HD21 ' A' ' 17' ' ' LEU . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.956 HD21 HG22 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.728 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 58' ' ' PRO . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.956 HG22 HD21 ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.89 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 70' ' ' PRO . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.757 ' HB ' HD22 ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 22' ' ' ASP . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD11 ' HA3' ' A' ' 41' ' ' GLY . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.664 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.573 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.682 HD21 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.89 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 80' ' ' ALA . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 55' ' ' VAL . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.709 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.678 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' HD22 ' A' ' 29' ' ' LEU . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' ' 31' ' ' LEU . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.967 ' HA ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' HB3' HG23 ' A' ' 23' ' ' VAL . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' CD2' HG21 ' A' ' 23' ' ' VAL . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.78 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.92 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.515 HD13 ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 49' ' ' LEU . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 70' ' ' PRO . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.869 ' HB ' HD12 ' A' ' 36' ' ' LEU . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.869 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.657 HD22 ' HA3' ' A' ' 41' ' ' GLY . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.657 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.724 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 77' ' ' VAL . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 10' ' ' VAL . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.413 ' OE1' HD11 ' A' ' 6' ' ' ILE . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 77' ' ' VAL . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' HD22 ' A' ' 36' ' ' LEU . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD22 ' HB ' ' A' ' 18' ' ' THR . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.522 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.483 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 45' ' ' LEU . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 49' ' ' LEU . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.512 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.637 ' O ' HD23 ' A' ' 14' ' ' LEU . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 11' ' ' LEU . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 14' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG ' ' A' ' 36' ' ' LEU . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD22 ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.8 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD12 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 80' ' ' ALA . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.8 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.494 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 11' ' ' LEU . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.699 ' HB ' HD22 ' A' ' 36' ' ' LEU . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HD21 ' A' ' 29' ' ' LEU . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.926 HG23 ' HB3' ' A' ' 29' ' ' LEU . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HB3' HG23 ' A' ' 23' ' ' VAL . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' THR . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.896 HG21 ' HG ' ' A' ' 29' ' ' LEU . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.699 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 31' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.606 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.975 HD13 HG22 ' A' ' 59' ' ' VAL . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' ' HB1' ' A' ' 80' ' ' ALA . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.975 HG22 HD13 ' A' ' 46' ' ' LEU . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG21 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.73 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.867 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 55' ' ' VAL . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.984 HD22 HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.807 HG12 HD23 ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.807 HD23 HG12 ' A' ' 23' ' ' VAL . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD21 HG11 ' A' ' 23' ' ' VAL . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 HD23 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.984 HD21 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.558 ' H ' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD21 HG22 ' A' ' 10' ' ' VAL . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.768 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.02 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.496 HG13 HG11 ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.02 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.942 ' O ' HD13 ' A' ' 14' ' ' LEU . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.829 ' HB ' HD12 ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.79 ' OD2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.85 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' CD2' ' A' ' 36' ' ' LEU . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.905 HD11 HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.734 HD21 HG22 ' A' ' 77' ' ' VAL . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 57' ' ' ALA . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.804 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 68' ' ' ASP . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.808 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 73' ' ' ILE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 16.2 mm100 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' HE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' THR . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.846 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 31' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 68' ' ' ASP . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.846 HD22 ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD21 ' H ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.691 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HA ' HD23 ' A' ' 46' ' ' LEU . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 45' ' ' LEU . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.746 ' HE2' HG23 ' A' ' 10' ' ' VAL . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 80' ' ' ALA . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.048 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.618 HG12 HG11 ' A' ' 10' ' ' VAL . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.915 HG22 HD21 ' A' ' 49' ' ' LEU . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 70' ' ' PRO . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 20' ' ' SER . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.631 HG21 HD23 ' A' ' 31' ' ' LEU . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.57 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 31' ' ' LEU . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 HD23 ' A' ' 17' ' ' LEU . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.605 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.915 HD21 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.886 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 58' ' ' PRO . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.706 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.492 ' HB3' HD13 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 10' ' ' VAL . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 49' ' ' LEU . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.871 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 22' ' ' ASP . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.871 HD22 ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.552 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' HG2' HD11 ' A' ' 17' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 57' ' ' ALA . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.76 HD13 HG22 ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.938 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' CD1' ' A' ' 46' ' ' LEU . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.76 HG22 HD13 ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.897 HG22 HD21 ' A' ' 49' ' ' LEU . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 31' ' ' LEU . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.746 HG11 HD21 ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD21 HG11 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.72 ' CG2' HD23 ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD23 ' CG2' ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.719 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' HG22 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.912 HD13 HG22 ' A' ' 77' ' ' VAL . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.863 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.007 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.6 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.434 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG22 HD13 ' A' ' 49' ' ' LEU . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.007 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.9 ' HG ' HG21 ' A' ' 34' ' ' THR . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.667 ' O ' HG23 ' A' ' 34' ' ' THR . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.9 HG21 ' HG ' ' A' ' 29' ' ' LEU . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 42' ' ' THR . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.824 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 59' ' ' VAL . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 HD11 ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 80' ' ' ALA . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 46' ' ' LEU . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' ALA . 41.2 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.601 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 74' ' ' ILE . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 77' ' ' VAL . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HD22 ' A' ' 45' ' ' LEU . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.582 ' CB ' HD13 ' A' ' 29' ' ' LEU . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 23' ' ' VAL . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.62 HG22 ' HG ' ' A' ' 36' ' ' LEU . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HG ' HG22 ' A' ' 34' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.726 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.991 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 58' ' ' PRO . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.684 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 7' ' ' LYS . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 10' ' ' VAL . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.647 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD21 HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 68' ' ' ASP . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 29' ' ' LEU . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.819 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.035 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 HD23 ' A' ' 49' ' ' LEU . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.035 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.51 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 10' ' ' VAL . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 10' ' ' VAL . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.852 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' THR . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.66 ' HB ' HD22 ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.748 ' HG ' HG21 ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.834 ' O ' HG23 ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.651 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD13 HG22 ' A' ' 59' ' ' VAL . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 77' ' ' VAL . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.852 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 46' ' ' LEU . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.861 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 49' ' ' LEU . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.555 ' HB ' HD13 ' A' ' 36' ' ' LEU . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.567 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 31' ' ' LEU . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 22' ' ' ASP . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 18' ' ' THR . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.532 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.752 ' CD1' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 HG22 ' A' ' 10' ' ' VAL . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 8.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.723 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.887 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.752 HG22 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 HD21 ' A' ' 49' ' ' LEU . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.742 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 34' ' ' THR . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.794 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD21 HG22 ' A' ' 10' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.81 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.841 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.742 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.499 HD11 ' HG ' ' A' ' 11' ' ' LEU . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 10' ' ' VAL . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.722 ' CG2' HG21 ' A' ' 77' ' ' VAL . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 18' ' ' THR . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.722 HD22 ' CG2' ' A' ' 77' ' ' VAL . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.709 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.631 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.721 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.722 HG21 ' CG2' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 74' ' ' ILE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 9' ' ' GLY . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD12 HG21 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.886 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 HD12 ' A' ' 14' ' ' LEU . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 23' ' ' VAL . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 HD11 ' A' ' 45' ' ' LEU . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CD1' HD23 ' A' ' 49' ' ' LEU . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG13 ' HB1' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.853 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.584 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 49' ' ' LEU . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.913 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' A' ' 21' ' ' ASP . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.892 ' HB ' HD22 ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 29' ' ' LEU . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.801 ' HB3' HG12 ' A' ' 23' ' ' VAL . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 68' ' ' ASP . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.892 HD22 ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.91 HD11 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.764 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD21 HG22 ' A' ' 77' ' ' VAL . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 57' ' ' ALA . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.793 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 69' ' ' THR . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.615 HG22 HD21 ' A' ' 49' ' ' LEU . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.552 ' NE2' HD11 ' A' ' 6' ' ' ILE . 7.6 mm100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.579 HG11 ' CG1' ' A' ' 74' ' ' ILE . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 36' ' ' LEU . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.99 HG21 HD12 ' A' ' 14' ' ' LEU . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 23' ' ' VAL . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 18' ' ' THR . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.77 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 53' ' ' PHE . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' HZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.579 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 10' ' ' VAL . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.581 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.937 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 14' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.937 HD22 ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' HA3' ' A' ' 41' ' ' GLY . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.056 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD22 ' CG2' ' A' ' 77' ' ' VAL . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.056 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.529 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.529 HG23 ' OD2' ' A' ' 68' ' ' ASP . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.566 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.822 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.839 HG12 HD23 ' A' ' 29' ' ' LEU . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD23 HG12 ' A' ' 23' ' ' VAL . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.72 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.904 HG23 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.505 HD13 HD21 ' A' ' 45' ' ' LEU . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.563 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG11 HG21 ' A' ' 10' ' ' VAL . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.904 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.634 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 45' ' ' LEU . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.557 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 46' ' ' LEU . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.855 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.606 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.606 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 10' ' ' VAL . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.855 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.651 HG11 HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 11' ' ' LEU . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.706 ' HB ' HD13 ' A' ' 36' ' ' LEU . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.611 ' O ' HD22 ' A' ' 29' ' ' LEU . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 HD23 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.795 HD23 HG12 ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.704 ' H ' HD13 ' A' ' 37' ' ' LEU . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.473 ' H ' HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.904 HD11 HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 45' ' ' LEU . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 49' ' ' LEU . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.651 HG12 HG11 ' A' ' 10' ' ' VAL . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 73' ' ' ILE . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.935 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.659 HG21 HD23 ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.849 HG23 ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.801 ' HB ' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD13 ' HB ' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.661 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 77' ' ' VAL . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG13 ' CB ' ' A' ' 80' ' ' ALA . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.804 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.849 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.804 HG12 HG11 ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.667 HG22 HD13 ' A' ' 49' ' ' LEU . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.022 HG21 HG11 ' A' ' 77' ' ' VAL . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG23 ' HG3' ' A' ' 70' ' ' PRO . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.713 HD11 ' HA3' ' A' ' 41' ' ' GLY . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.713 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.831 ' CD2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.689 HD23 HG11 ' A' ' 55' ' ' VAL . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.669 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.856 HG23 ' CB ' ' A' ' 80' ' ' ALA . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 46' ' ' LEU . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.022 HG11 HG21 ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.856 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 10' ' ' VAL . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 6' ' ' ILE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.931 ' HB ' HD22 ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 36' ' ' LEU . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.931 HD22 ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.703 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.622 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.023 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.976 HG22 ' CB ' ' A' ' 80' ' ' ALA . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 1.023 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.779 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.976 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.75 -179.41 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.44 -3.95 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 2' ' ' ALA . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.728 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' HD22 ' A' ' 36' ' ' LEU . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.672 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 68' ' ' ASP . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 18' ' ' THR . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' HD21 ' A' ' 17' ' ' LEU . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.956 HD21 HG22 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.728 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 58' ' ' PRO . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.956 HG22 HD21 ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.31 86.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 -139.6 12.56 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.89 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 70' ' ' PRO . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.757 ' HB ' HD22 ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 22' ' ' ASP . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD11 ' HA3' ' A' ' 41' ' ' GLY . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.664 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.573 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.682 HD21 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.89 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 80' ' ' ALA . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 55' ' ' VAL . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.709 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.67 81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 2' ' ' ALA . 13.1 pt-20 -134.98 10.13 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.678 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' HD22 ' A' ' 29' ' ' LEU . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' ' 31' ' ' LEU . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.967 ' HA ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' HB3' HG23 ' A' ' 23' ' ' VAL . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' CD2' HG21 ' A' ' 23' ' ' VAL . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.78 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.92 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.515 HD13 ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 49' ' ' LEU . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 57.36 168.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.9 -21.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 70' ' ' PRO . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.869 ' HB ' HD12 ' A' ' 36' ' ' LEU . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.869 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.657 HD22 ' HA3' ' A' ' 41' ' ' GLY . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.657 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.724 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 77' ' ' VAL . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 10' ' ' VAL . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.413 ' OE1' HD11 ' A' ' 6' ' ' ILE . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.64 173.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -6.04 57.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 77' ' ' VAL . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' HD22 ' A' ' 36' ' ' LEU . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD22 ' HB ' ' A' ' 18' ' ' THR . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.522 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.483 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 45' ' ' LEU . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 49' ' ' LEU . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.512 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.46 -176.39 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -77.89 0.45 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.637 ' O ' HD23 ' A' ' 14' ' ' LEU . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 11' ' ' LEU . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 14' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG ' ' A' ' 36' ' ' LEU . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD22 ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.8 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.786 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD12 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 80' ' ' ALA . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.8 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.494 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 60.56 97.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -146.01 17.43 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 11' ' ' LEU . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.699 ' HB ' HD22 ' A' ' 36' ' ' LEU . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HD21 ' A' ' 29' ' ' LEU . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.926 HG23 ' HB3' ' A' ' 29' ' ' LEU . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HB3' HG23 ' A' ' 23' ' ' VAL . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' THR . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.896 HG21 ' HG ' ' A' ' 29' ' ' LEU . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.699 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 31' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.606 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.975 HD13 HG22 ' A' ' 59' ' ' VAL . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' ' HB1' ' A' ' 80' ' ' ALA . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.975 HG22 HD13 ' A' ' 46' ' ' LEU . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG21 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.73 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.867 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 55' ' ' VAL . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -144.99 157.72 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.94 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.984 HD22 HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.807 HG12 HD23 ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.807 HD23 HG12 ' A' ' 23' ' ' VAL . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD21 HG11 ' A' ' 23' ' ' VAL . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 HD23 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.984 HD21 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.558 ' H ' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD21 HG22 ' A' ' 10' ' ' VAL . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.768 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.02 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.496 HG13 HG11 ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.02 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 80.11 51.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 -114.28 -32.25 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.942 ' O ' HD13 ' A' ' 14' ' ' LEU . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.829 ' HB ' HD12 ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.79 ' OD2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.85 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' CD2' ' A' ' 36' ' ' LEU . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.905 HD11 HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.734 HD21 HG22 ' A' ' 77' ' ' VAL . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 57' ' ' ALA . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.804 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 68' ' ' ASP . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.808 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 73' ' ' ILE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 16.2 mm100 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.87 125.51 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -7.0 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' HE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' THR . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.846 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 31' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 68' ' ' ASP . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.846 HD22 ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD21 ' H ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.691 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HA ' HD23 ' A' ' 46' ' ' LEU . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 45' ' ' LEU . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.746 ' HE2' HG23 ' A' ' 10' ' ' VAL . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 80' ' ' ALA . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.048 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.618 HG12 HG11 ' A' ' 10' ' ' VAL . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.21 -172.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -11.14 14.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.915 HG22 HD21 ' A' ' 49' ' ' LEU . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 70' ' ' PRO . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 20' ' ' SER . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.631 HG21 HD23 ' A' ' 31' ' ' LEU . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.57 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 31' ' ' LEU . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 HD23 ' A' ' 17' ' ' LEU . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.605 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.915 HD21 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.886 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 58' ' ' PRO . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.706 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.492 ' HB3' HD13 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 10' ' ' VAL . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 57.13 170.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 89.5 -24.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 49' ' ' LEU . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.871 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 22' ' ' ASP . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.871 HD22 ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.552 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' HG2' HD11 ' A' ' 17' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 57' ' ' ALA . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.76 HD13 HG22 ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.938 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' CD1' ' A' ' 46' ' ' LEU . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.76 HG22 HD13 ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.41 174.32 6.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -100.22 -15.78 17.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.897 HG22 HD21 ' A' ' 49' ' ' LEU . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 31' ' ' LEU . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.746 HG11 HD21 ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD21 HG11 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.72 ' CG2' HD23 ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD23 ' CG2' ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.719 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' HG22 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.912 HD13 HG22 ' A' ' 77' ' ' VAL . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.863 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.007 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.6 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.434 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG22 HD13 ' A' ' 49' ' ' LEU . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.007 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 153.24 46.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -10.84 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.9 ' HG ' HG21 ' A' ' 34' ' ' THR . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.667 ' O ' HG23 ' A' ' 34' ' ' THR . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.9 HG21 ' HG ' ' A' ' 29' ' ' LEU . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 42' ' ' THR . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.824 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 59' ' ' VAL . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 HD11 ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 80' ' ' ALA . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 46' ' ' LEU . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' ALA . 41.2 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.601 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' ALA . 3.4 m-20 72.64 -158.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.3 -24.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 74' ' ' ILE . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 77' ' ' VAL . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HD22 ' A' ' 45' ' ' LEU . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.582 ' CB ' HD13 ' A' ' 29' ' ' LEU . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 23' ' ' VAL . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.62 HG22 ' HG ' ' A' ' 36' ' ' LEU . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HG ' HG22 ' A' ' 34' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.726 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.991 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 58' ' ' PRO . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.684 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 7' ' ' LYS . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 10' ' ' VAL . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 151.89 20.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 171.56 -32.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.647 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD21 HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 68' ' ' ASP . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 29' ' ' LEU . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.819 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.035 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 HD23 ' A' ' 49' ' ' LEU . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.035 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.51 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 10' ' ' VAL . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 10' ' ' VAL . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.43 129.37 45.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 -64.41 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.852 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' THR . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.66 ' HB ' HD22 ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' HG ' HG21 ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.834 ' O ' HG23 ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.651 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD13 HG22 ' A' ' 59' ' ' VAL . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 77' ' ' VAL . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.852 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 46' ' ' LEU . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.861 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 49' ' ' LEU . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 5' ' ' ALA . 2.3 m-20 -88.31 -158.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -22.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 3' ' ' ASP . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.555 ' HB ' HD13 ' A' ' 36' ' ' LEU . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.567 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 31' ' ' LEU . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 22' ' ' ASP . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 18' ' ' THR . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.532 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.752 ' CD1' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 HG22 ' A' ' 10' ' ' VAL . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 8.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.723 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.887 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.752 HG22 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 45.88 73.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.26 -7.46 10.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 HD21 ' A' ' 49' ' ' LEU . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.742 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 34' ' ' THR . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.794 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD21 HG22 ' A' ' 10' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.81 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.841 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.742 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 HD11 ' HG ' ' A' ' 11' ' ' LEU . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 10' ' ' VAL . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.46 82.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 -141.41 14.15 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.722 ' CG2' HG21 ' A' ' 77' ' ' VAL . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 18' ' ' THR . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.722 HD22 ' CG2' ' A' ' 77' ' ' VAL . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.709 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.631 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.721 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.722 HG21 ' CG2' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.89 25.41 11.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.73 -46.29 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG11 HG13 ' A' ' 74' ' ' ILE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 9' ' ' GLY . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD12 HG21 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.886 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 HD12 ' A' ' 14' ' ' LEU . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 23' ' ' VAL . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.811 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 HD11 ' A' ' 45' ' ' LEU . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CD1' HD23 ' A' ' 49' ' ' LEU . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG13 ' HB1' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.853 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.584 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 49' ' ' LEU . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.913 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 116.72 12.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -98.99 -15.89 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' A' ' 21' ' ' ASP . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.892 ' HB ' HD22 ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 29' ' ' LEU . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.801 ' HB3' HG12 ' A' ' 23' ' ' VAL . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 68' ' ' ASP . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.892 HD22 ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.91 HD11 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.764 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD21 HG22 ' A' ' 77' ' ' VAL . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 57' ' ' ALA . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.793 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 69' ' ' THR . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.615 HG22 HD21 ' A' ' 49' ' ' LEU . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.552 ' NE2' HD11 ' A' ' 6' ' ' ILE . 7.6 mm100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.12 119.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.71 -12.38 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG11 ' CG1' ' A' ' 74' ' ' ILE . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 36' ' ' LEU . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.99 HG21 HD12 ' A' ' 14' ' ' LEU . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 23' ' ' VAL . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 18' ' ' THR . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.77 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 53' ' ' PHE . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' HZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.579 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 10' ' ' VAL . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.581 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER 164.96 178.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 6.3 tt0 88.09 -18.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.937 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 14' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.937 HD22 ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' HA3' ' A' ' 41' ' ' GLY . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.056 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD22 ' CG2' ' A' ' 77' ' ' VAL . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.056 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.529 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.529 HG23 ' OD2' ' A' ' 68' ' ' ASP . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.566 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 64.98 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 -146.29 17.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.822 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.839 HG12 HD23 ' A' ' 29' ' ' LEU . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD23 HG12 ' A' ' 23' ' ' VAL . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.72 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.904 HG23 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD13 HD21 ' A' ' 45' ' ' LEU . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.563 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG11 HG21 ' A' ' 10' ' ' VAL . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.904 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.53 131.93 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -91.71 -17.65 25.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.634 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 45' ' ' LEU . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.557 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 46' ' ' LEU . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.855 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.606 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.606 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 10' ' ' VAL . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.855 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -71.97 165.33 24.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 89.48 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.246 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.651 HG11 HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 11' ' ' LEU . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.706 ' HB ' HD13 ' A' ' 36' ' ' LEU . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.611 ' O ' HD22 ' A' ' 29' ' ' LEU . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 HD23 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.795 HD23 HG12 ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.704 ' H ' HD13 ' A' ' 37' ' ' LEU . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.473 ' H ' HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.904 HD11 HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 45' ' ' LEU . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 49' ' ' LEU . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.651 HG12 HG11 ' A' ' 10' ' ' VAL . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 73' ' ' ILE . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -85.35 179.6 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -18.89 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.935 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.659 HG21 HD23 ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.849 HG23 ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.801 ' HB ' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD13 ' HB ' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.661 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 77' ' ' VAL . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG13 ' CB ' ' A' ' 80' ' ' ALA . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.804 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.849 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.804 HG12 HG11 ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.667 HG22 HD13 ' A' ' 49' ' ' LEU . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 154.77 39.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -17.91 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.022 HG21 HG11 ' A' ' 77' ' ' VAL . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.731 HG23 ' HG3' ' A' ' 70' ' ' PRO . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.713 HD11 ' HA3' ' A' ' 41' ' ' GLY . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.713 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.831 ' CD2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.689 HD23 HG11 ' A' ' 55' ' ' VAL . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.669 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.856 HG23 ' CB ' ' A' ' 80' ' ' ALA . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 46' ' ' LEU . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.022 HG11 HG21 ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.856 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.3 151.03 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -6.32 59.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.194 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 10' ' ' VAL . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 6' ' ' ILE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.931 ' HB ' HD22 ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 36' ' ' LEU . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.931 HD22 ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.703 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.622 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.023 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.976 HG22 ' CB ' ' A' ' 80' ' ' ALA . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 1.023 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.779 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.976 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.728 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' HD22 ' A' ' 36' ' ' LEU . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.672 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.851 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 68' ' ' ASP . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 18' ' ' THR . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' HD21 ' A' ' 17' ' ' LEU . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.956 HD21 HG22 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.728 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 58' ' ' PRO . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.956 HG22 HD21 ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.89 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 70' ' ' PRO . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.757 ' HB ' HD22 ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 22' ' ' ASP . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.664 HD11 ' HA3' ' A' ' 41' ' ' GLY . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.664 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.573 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.682 HD21 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.89 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 80' ' ' ALA . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 55' ' ' VAL . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.709 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.678 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' HD22 ' A' ' 29' ' ' LEU . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' ' 31' ' ' LEU . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.967 ' HA ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' HB3' HG23 ' A' ' 23' ' ' VAL . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' CD2' HG21 ' A' ' 23' ' ' VAL . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.78 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.92 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.515 HD13 ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 49' ' ' LEU . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 70' ' ' PRO . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.869 ' HB ' HD12 ' A' ' 36' ' ' LEU . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.869 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.657 HD22 ' HA3' ' A' ' 41' ' ' GLY . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.657 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.724 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 77' ' ' VAL . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 10' ' ' VAL . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.413 ' OE1' HD11 ' A' ' 6' ' ' ILE . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 77' ' ' VAL . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' HD22 ' A' ' 36' ' ' LEU . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD22 ' HB ' ' A' ' 18' ' ' THR . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.522 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.483 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 45' ' ' LEU . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 49' ' ' LEU . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.512 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' HE22 ' A' ' 79' ' ' GLN . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.487 HE22 ' HB1' ' A' ' 75' ' ' ALA . 1.2 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.637 ' O ' HD23 ' A' ' 14' ' ' LEU . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 11' ' ' LEU . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 14' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG ' ' A' ' 36' ' ' LEU . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD22 ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.8 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD12 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 80' ' ' ALA . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.8 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.494 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 11' ' ' LEU . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.699 ' HB ' HD22 ' A' ' 36' ' ' LEU . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HD21 ' A' ' 29' ' ' LEU . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.926 HG23 ' HB3' ' A' ' 29' ' ' LEU . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HB3' HG23 ' A' ' 23' ' ' VAL . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' THR . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.896 HG21 ' HG ' ' A' ' 29' ' ' LEU . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.699 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 31' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.606 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.975 HD13 HG22 ' A' ' 59' ' ' VAL . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' ' HB1' ' A' ' 80' ' ' ALA . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.975 HG22 HD13 ' A' ' 46' ' ' LEU . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG21 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.73 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.867 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 55' ' ' VAL . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.984 HD22 HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.807 HG12 HD23 ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.807 HD23 HG12 ' A' ' 23' ' ' VAL . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD21 HG11 ' A' ' 23' ' ' VAL . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 HD23 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.984 HD21 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.558 ' H ' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD21 HG22 ' A' ' 10' ' ' VAL . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.768 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.02 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.496 HG13 HG11 ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.02 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.942 ' O ' HD13 ' A' ' 14' ' ' LEU . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.829 ' HB ' HD12 ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.79 ' OD2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.85 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' CD2' ' A' ' 36' ' ' LEU . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.905 HD11 HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.734 HD21 HG22 ' A' ' 77' ' ' VAL . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 57' ' ' ALA . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.804 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 68' ' ' ASP . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.808 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 73' ' ' ILE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 45.3 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' HE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' THR . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.846 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 31' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 68' ' ' ASP . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.846 HD22 ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD21 ' H ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.691 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HA ' HD23 ' A' ' 46' ' ' LEU . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 45' ' ' LEU . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.746 ' HE2' HG23 ' A' ' 10' ' ' VAL . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 80' ' ' ALA . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.048 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.618 HG12 HG11 ' A' ' 10' ' ' VAL . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.915 HG22 HD21 ' A' ' 49' ' ' LEU . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 70' ' ' PRO . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 20' ' ' SER . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.631 HG21 HD23 ' A' ' 31' ' ' LEU . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.57 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 31' ' ' LEU . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 HD23 ' A' ' 17' ' ' LEU . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.605 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.915 HD21 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.886 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.431 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 58' ' ' PRO . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.706 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.492 ' HB3' HD13 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 10' ' ' VAL . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 49' ' ' LEU . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.871 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 22' ' ' ASP . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.871 HD22 ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.552 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' HG2' HD11 ' A' ' 17' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 57' ' ' ALA . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.76 HD13 HG22 ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.938 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' CD1' ' A' ' 46' ' ' LEU . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.76 HG22 HD13 ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.897 HG22 HD21 ' A' ' 49' ' ' LEU . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 31' ' ' LEU . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.746 HG11 HD21 ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD21 HG11 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.72 ' CG2' HD23 ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD23 ' CG2' ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.719 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' HG22 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.912 HD13 HG22 ' A' ' 77' ' ' VAL . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.863 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.007 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.6 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.434 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG22 HD13 ' A' ' 49' ' ' LEU . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.007 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.9 ' HG ' HG21 ' A' ' 34' ' ' THR . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.667 ' O ' HG23 ' A' ' 34' ' ' THR . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.9 HG21 ' HG ' ' A' ' 29' ' ' LEU . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 42' ' ' THR . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 59' ' ' VAL . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 HD11 ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 80' ' ' ALA . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 46' ' ' LEU . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB1' HE21 ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.509 HE21 ' HB1' ' A' ' 75' ' ' ALA . 44.6 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.601 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.45 ' NE2' HD13 ' A' ' 6' ' ' ILE . 10.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 74' ' ' ILE . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 77' ' ' VAL . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HD22 ' A' ' 45' ' ' LEU . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.582 ' CB ' HD13 ' A' ' 29' ' ' LEU . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 23' ' ' VAL . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.62 HG22 ' HG ' ' A' ' 36' ' ' LEU . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HG ' HG22 ' A' ' 34' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.726 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.991 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 58' ' ' PRO . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.684 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 7' ' ' LYS . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 10' ' ' VAL . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.647 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD21 HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 68' ' ' ASP . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 29' ' ' LEU . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.035 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 HD23 ' A' ' 49' ' ' LEU . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.035 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.51 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 10' ' ' VAL . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 10' ' ' VAL . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.852 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' THR . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.66 ' HB ' HD22 ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.748 ' HG ' HG21 ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.834 ' O ' HG23 ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.651 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD13 HG22 ' A' ' 59' ' ' VAL . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 77' ' ' VAL . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.852 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 46' ' ' LEU . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.861 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 49' ' ' LEU . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.555 ' HB ' HD13 ' A' ' 36' ' ' LEU . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.567 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 31' ' ' LEU . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 22' ' ' ASP . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 18' ' ' THR . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.532 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.752 ' CD1' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 HG22 ' A' ' 10' ' ' VAL . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.723 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.887 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.752 HG22 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 HD21 ' A' ' 49' ' ' LEU . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.742 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 34' ' ' THR . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.794 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD21 HG22 ' A' ' 10' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.81 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.841 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.742 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.499 HD11 ' HG ' ' A' ' 11' ' ' LEU . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 10' ' ' VAL . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.722 ' CG2' HG21 ' A' ' 77' ' ' VAL . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 18' ' ' THR . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.722 HD22 ' CG2' ' A' ' 77' ' ' VAL . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.709 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.631 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.721 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.722 HG21 ' CG2' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.426 HE21 ' N ' ' A' ' 81' ' ' GLN . 9.8 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 9' ' ' GLY . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD12 HG21 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.886 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 HD12 ' A' ' 14' ' ' LEU . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 23' ' ' VAL . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 HD11 ' A' ' 45' ' ' LEU . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CD1' HD23 ' A' ' 49' ' ' LEU . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG13 ' HB1' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.853 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.584 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 49' ' ' LEU . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.913 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' A' ' 21' ' ' ASP . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.892 ' HB ' HD22 ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 29' ' ' LEU . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.801 ' HB3' HG12 ' A' ' 23' ' ' VAL . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 68' ' ' ASP . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.892 HD22 ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.91 HD11 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.764 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD21 HG22 ' A' ' 77' ' ' VAL . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 57' ' ' ALA . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.793 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 69' ' ' THR . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.615 HG22 HD21 ' A' ' 49' ' ' LEU . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.42 HE21 ' N ' ' A' ' 81' ' ' GLN . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.579 HG11 ' CG1' ' A' ' 74' ' ' ILE . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 36' ' ' LEU . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.99 HG21 HD12 ' A' ' 14' ' ' LEU . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 23' ' ' VAL . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 18' ' ' THR . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.77 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 53' ' ' PHE . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' HZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.579 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 10' ' ' VAL . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.581 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.937 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 14' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.937 HD22 ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' HA3' ' A' ' 41' ' ' GLY . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.056 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD22 ' CG2' ' A' ' 77' ' ' VAL . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.056 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.529 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.529 HG23 ' OD2' ' A' ' 68' ' ' ASP . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.635 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.566 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.822 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.839 HG12 HD23 ' A' ' 29' ' ' LEU . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD23 HG12 ' A' ' 23' ' ' VAL . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.72 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.904 HG23 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.505 HD13 HD21 ' A' ' 45' ' ' LEU . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.563 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG11 HG21 ' A' ' 10' ' ' VAL . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.904 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.634 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 45' ' ' LEU . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.557 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 46' ' ' LEU . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.855 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.606 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.606 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 10' ' ' VAL . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.855 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.651 HG11 HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 11' ' ' LEU . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.706 ' HB ' HD13 ' A' ' 36' ' ' LEU . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.611 ' O ' HD22 ' A' ' 29' ' ' LEU . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 HD23 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.795 HD23 HG12 ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.704 ' H ' HD13 ' A' ' 37' ' ' LEU . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.473 ' H ' HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.904 HD11 HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 45' ' ' LEU . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 49' ' ' LEU . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.651 HG12 HG11 ' A' ' 10' ' ' VAL . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 73' ' ' ILE . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.935 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.659 HG21 HD23 ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.849 HG23 ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.801 ' HB ' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD13 ' HB ' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.661 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 77' ' ' VAL . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG13 ' CB ' ' A' ' 80' ' ' ALA . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.804 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.849 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.804 HG12 HG11 ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.667 HG22 HD13 ' A' ' 49' ' ' LEU . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.022 HG21 HG11 ' A' ' 77' ' ' VAL . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG23 ' HG3' ' A' ' 70' ' ' PRO . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.713 HD11 ' HA3' ' A' ' 41' ' ' GLY . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.713 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.831 ' CD2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.689 HD23 HG11 ' A' ' 55' ' ' VAL . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.669 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.856 HG23 ' CB ' ' A' ' 80' ' ' ALA . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 46' ' ' LEU . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.022 HG11 HG21 ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.856 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 10' ' ' VAL . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 6' ' ' ILE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.931 ' HB ' HD22 ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 36' ' ' LEU . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.931 HD22 ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.703 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.622 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.023 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.976 HG22 ' CB ' ' A' ' 80' ' ' ALA . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 1.023 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.779 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.976 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.772 ' HB1' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.75 -179.41 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.44 -3.95 39.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.6 -14.11 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.772 HD12 ' HB1' ' A' ' 2' ' ' ALA . 2.6 mt -88.96 -47.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -65.68 -37.23 85.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -74.15 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.73 -46.78 31.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.728 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -56.3 -51.12 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD21 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.81 -45.23 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.373 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -58.84 -49.22 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.15 -12.69 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -83.7 -63.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.89 -28.75 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.16 -40.14 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -61.22 -56.43 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' HD22 ' A' ' 36' ' ' LEU . 82.3 p -59.82 -27.97 67.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.37 15.31 81.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -132.21 173.32 11.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -115.41 77.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.672 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -133.21 -43.03 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.851 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -74.6 -29.33 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -52.32 -21.9 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -113.48 -75.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -50.28 139.83 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 21.2 mt -114.51 29.86 7.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.97 30.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -85.74 100.03 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.7 m120 -38.06 121.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 68' ' ' ASP . 4.1 mt -85.82 -4.11 59.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -117.11 -46.77 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -14.49 62.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.8 m -93.5 -15.43 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.8 -9.3 66.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 18' ' ' THR . 10.8 mt -54.81 -42.48 71.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -119.12 170.21 9.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.85 -50.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 t 173.68 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 ttm -56.72 -29.79 62.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.519 ' HA2' HD21 ' A' ' 17' ' ' LEU . . . -58.78 -56.33 25.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -46.5 -44.78 17.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.432 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -48.64 -49.87 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -65.75 -57.76 7.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -44.86 -41.83 7.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.2 mt -59.35 -43.47 92.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -51.88 -42.85 63.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.12 -21.3 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.956 HD21 HG22 ' A' ' 77' ' ' VAL . 4.6 tp -84.66 -9.05 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.42 12.38 21.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 -58.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.8 mm100 -82.82 -25.2 32.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.728 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -118.82 -8.95 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.087 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.96 43.91 4.47 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -66.88 164.23 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.72 30.33 4.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -60.9 148.3 83.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 Cg_endo -74.89 -170.25 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 58' ' ' PRO . 52.9 t -156.85 -42.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -28.92 -65.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.02 72.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -84.33 -170.33 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.8 t0 -85.9 81.64 8.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.51 -25.57 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -35.09 72.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.5 tt0 -79.25 -27.81 42.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 13.6 m95 -101.45 17.37 22.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 107.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -93.57 -33.17 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.12 162.87 21.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.851 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.0 Cg_endo -75.08 -40.62 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -61.64 -58.28 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 mtmm -49.07 -30.39 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.3 mt -81.4 -54.04 10.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.2 mt -48.22 -26.32 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.98 22.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 27.2 tptt -67.82 -34.91 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.201 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.956 HG22 HD21 ' A' ' 49' ' ' LEU . 77.8 t -74.27 -35.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -76.68 -26.82 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -97.09 27.47 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -126.96 -46.02 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.31 86.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 5.9 tt0 -139.6 12.56 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.5 -17.98 49.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 53' ' ' PHE . 4.3 mt -87.26 -48.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -38.67 89.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 15.4 t-20 -71.95 -58.85 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.8 -52.71 20.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.89 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.7 t -49.09 -39.42 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -77.05 -51.95 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -52.61 -35.97 55.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.81 -30.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 70' ' ' PRO . 9.5 mt -75.72 -52.67 9.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.72 65.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -28.9 69.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -63.21 -56.58 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.757 ' HB ' HD22 ' A' ' 36' ' ' LEU . 69.9 p -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.69 11.22 64.16 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -130.38 154.13 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.955 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.96 31.69 1.38 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.34 -40.46 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG23 ' HG3' ' A' ' 70' ' ' PRO . 11.5 p -76.15 -31.61 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.92 -21.08 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -74.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -47.31 143.63 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 53.6 mt -120.15 30.38 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.0 30.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 22' ' ' ASP . 1.3 tp -88.09 98.41 11.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 34' ' ' THR . 9.5 m120 -43.31 111.1 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.4 -3.49 30.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -114.2 -51.04 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -14.5 62.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 94.0 m -91.74 -16.21 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.48 88.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 18' ' ' THR . 29.0 mt -56.86 -45.06 82.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.664 HD11 ' HA3' ' A' ' 41' ' ' GLY . 5.5 tp -113.26 162.04 16.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.21 -52.48 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 t 176.81 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.952 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -35.37 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.664 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -58.43 -51.08 60.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.573 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -48.11 -42.97 30.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.98 -63.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.6 tt0 -47.8 -55.84 8.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.54 -37.73 18.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.7 mt -66.45 -33.28 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.38 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.64 -38.52 89.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -24.77 45.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.682 HD21 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -85.7 -11.17 54.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.08 19.37 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -126.62 -57.48 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm100 -84.19 -22.81 30.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.89 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.6 m-85 -118.06 -27.62 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 62.67 45.29 96.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 ' CB ' ' A' ' 80' ' ' ALA . 93.1 t -74.46 160.05 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' N ' HG12 ' A' ' 55' ' ' VAL . 22.9 t70 -130.75 100.44 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -128.15 159.75 65.41 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 -173.2 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.946 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 64.7 t -154.77 -45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -36.89 -33.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.2 tt0 175.7 55.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.07 -170.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -96.32 83.38 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.97 -29.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.91 -36.29 74.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . 7.3 tt0 -82.11 -27.24 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 25.7 m95 -102.73 21.18 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 108.024 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -93.41 -40.84 10.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 5.2 p -110.55 165.25 13.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.709 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.95 -36.16 2.75 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.4 m-20 -63.55 -63.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.5 mtmm -44.35 -31.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.504 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 17.5 mt -79.93 -52.68 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.84 -25.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.32 43.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.1 mmtt -69.28 -34.64 75.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 24.6 t -72.0 -40.31 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.04 -28.04 61.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -91.44 23.76 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.565 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.85 -43.41 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.67 81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 2' ' ' ALA . 13.1 pt-20 -134.98 10.13 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.41 -18.02 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.0 mt -88.27 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -49.35 -37.85 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -67.75 -59.19 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.22 -43.51 89.15 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -56.63 -30.32 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -82.68 -47.03 12.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -56.82 -34.89 68.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.87 -20.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -82.8 -56.48 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.0 64.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -78.47 -35.24 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -52.41 62.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.678 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.2 p -73.66 -47.08 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.72 -8.23 58.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.44 -171.32 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -136.19 32.2 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' C ' HD22 ' A' ' 29' ' ' LEU . 11.9 t0 -103.59 -33.08 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' ' 31' ' ' LEU . 3.7 p -82.93 -5.82 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.967 ' HA ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -85.82 -15.81 40.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -105.18 -66.97 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.81 129.96 44.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.1 mt -98.44 30.32 3.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.75 30.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' HB3' HG23 ' A' ' 23' ' ' VAL . 10.5 tp -84.26 93.52 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.828 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -39.1 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' CD2' HG21 ' A' ' 23' ' ' VAL . 1.9 mt -56.3 -19.33 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD2' ' HA ' ' A' ' 68' ' ' ASP . 37.3 m-85 -93.67 -58.1 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 1.1 tm-20 -53.4 -22.1 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 30' ' ' ASN . 40.0 p -83.53 -20.16 34.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.12 3.41 90.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD22 ' HB ' ' A' ' 18' ' ' THR . 28.6 mt -61.64 -38.27 87.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -110.97 172.57 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.571 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.6 p-10 -130.67 -58.83 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 174.37 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -26.89 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.58 -47.98 73.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.78 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -55.59 -43.97 76.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 110.386 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.18 -54.21 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.3 tt0 -57.55 -57.2 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.216 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.91 -41.82 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.0 -43.99 82.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.4 -42.6 64.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -18.43 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.92 ' O ' HG12 ' A' ' 55' ' ' VAL . 4.3 tp -86.16 -8.38 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -114.97 13.63 17.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -121.76 -55.69 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 17.4 mt-30 -84.13 -25.2 29.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 6' ' ' ILE . 2.5 m-85 -116.09 -21.99 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.94 47.25 66.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 49' ' ' LEU . 9.7 p -80.43 159.22 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -124.75 118.03 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -155.44 162.14 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.2 Cg_endo -74.98 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 60' ' ' SER . 23.3 t -147.98 -45.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' VAL . 25.1 p -38.33 -33.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.583 1.177 . . . . 0.0 109.959 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.0 OUTLIER -170.1 54.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 42' ' ' THR . 6.4 p90 -53.21 156.04 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.44 80.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.43 -30.36 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -34.06 72.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 18.2 tt0 -83.15 -26.8 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 10.1 m95 -103.52 20.55 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 107.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.4 t0 -95.77 -29.23 14.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -118.69 158.34 47.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.477 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -75.06 -26.25 10.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -75.8 -53.14 8.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.344 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -54.46 -27.32 36.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 26.8 mt -81.18 -56.02 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.515 HD13 ' HE3' ' A' ' 7' ' ' LYS . 4.0 mt -48.45 -24.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.87 -38.21 23.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.9 tptp -67.16 -34.55 77.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 49' ' ' LEU . 5.6 t -76.48 -32.74 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.365 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -79.14 -25.44 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -91.82 22.13 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.14 -50.63 2.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 57.36 168.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.9 -21.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.86 -7.25 51.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.224 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.57 HG12 ' CD2' ' A' ' 53' ' ' PHE . 3.7 mt -96.2 -51.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -32.25 71.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 3.5 t-20 -79.21 -57.18 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -51.37 -48.85 47.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 ' CE2' ' A' ' 53' ' ' PHE . 5.2 t -51.93 -42.08 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -74.94 -50.17 17.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -26.66 49.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.6 mt -86.88 -25.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD23 ' HB3' ' A' ' 70' ' ' PRO . 1.5 mp -76.65 -49.46 16.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -29.82 70.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.51 -39.43 62.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD23 HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.4 -52.83 63.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.869 ' HB ' HD12 ' A' ' 36' ' ' LEU . 24.5 p -70.43 -40.61 73.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 8.05 47.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.57 160.07 40.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.71 32.18 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.43 -43.31 56.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.5 p -78.6 -20.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -20.71 64.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -72.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 m120 -58.03 133.48 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 73.1 mt -107.1 29.26 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 31.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.7 tp -87.5 99.55 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.0 m120 -38.42 122.82 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 13.8 mt -90.36 7.27 39.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.32 -47.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -14.49 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 36' ' ' LEU . 57.6 m -97.92 -14.17 20.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.42 -3.31 87.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.869 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -44.06 -36.53 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.657 HD22 ' HA3' ' A' ' 41' ' ' GLY . 14.4 mt -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.62 -58.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -172.57 -65.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -43.61 -39.01 3.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 111.06 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.657 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -56.35 -60.26 9.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.62 -39.55 17.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.02 -58.35 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 5.8 tt0 -53.57 -48.86 68.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.15 -43.06 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.2 mt -62.97 -30.89 71.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.52 -38.01 83.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.66 -25.21 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 45' ' ' LEU . 10.8 mt -84.64 -11.59 55.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -112.21 15.17 20.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.46 -56.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -86.93 -22.92 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -120.32 -7.08 9.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 41.5 42.23 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.629 1.205 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 p -51.64 162.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.19 59.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.67 158.81 31.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -172.52 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 60' ' ' SER . 4.6 t -148.6 -44.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 59' ' ' VAL . 30.1 p -36.84 -42.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.45 69.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.5 p90 -72.21 -169.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.94 81.69 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -38.93 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -31.97 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 23.5 tt0 -79.44 -28.76 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 26.2 m95 -101.18 17.56 22.17 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -91.64 -40.42 11.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -108.44 164.36 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.404 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.724 ' HG3' HG23 ' A' ' 23' ' ' VAL . 17.9 Cg_endo -75.11 -42.35 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.18 -56.46 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 mttp -48.28 -34.13 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 77' ' ' VAL . 7.4 mt -79.51 -51.67 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.6 mt -48.89 -24.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 -35.84 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 9.1 tptp -69.19 -21.61 63.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 10' ' ' VAL . 20.3 t -85.39 -31.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.3 -25.99 33.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.76 21.49 4.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.39 -44.54 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.413 ' OE1' HD11 ' A' ' 6' ' ' ILE . 25.7 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.64 173.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.249 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -6.04 57.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -12.99 60.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.38 1.05 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 77' ' ' VAL . 3.9 mt -90.53 -48.98 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -36.51 84.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -75.27 -54.09 7.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.44 82.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG23 ' CE2' ' A' ' 53' ' ' PHE . 23.0 t -58.28 -45.66 89.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -68.09 -39.9 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.614 1.196 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -65.26 -44.36 88.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.394 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.96 -14.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.4 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -83.52 -63.46 1.35 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -57.25 -22.27 40.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.07 -41.21 36.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -60.94 -53.54 56.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.443 ' HB ' HD22 ' A' ' 36' ' ' LEU . 21.1 p -78.32 -46.99 18.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . 95.58 14.58 46.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.93 170.23 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -104.26 -29.09 11.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -42.52 -44.12 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.2 p -77.19 -34.73 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -54.99 -26.16 34.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.398 1.061 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.93 132.29 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 13.5 mt -107.07 36.88 2.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.26 31.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 14.4 tp -88.93 100.09 12.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.6 m120 -38.32 123.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' LEU . 8.7 mt -84.93 -1.74 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -123.57 -42.51 2.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.22 -16.08 63.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -97.93 -11.86 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 110.383 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.66 16.3 80.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.391 1.057 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD22 ' HB ' ' A' ' 18' ' ' THR . 17.5 mt -75.56 -35.02 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.781 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -112.12 164.35 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.522 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.29 -61.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p 173.64 -40.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -26.31 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -55.11 -55.76 26.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.483 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -45.36 -46.98 13.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.4 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -47.35 -54.24 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.0 tt0 -55.54 -54.32 45.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.08 -39.73 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.008 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.3 mt -63.18 -39.13 93.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.33 -42.96 70.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.39 -23.02 37.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD22 HD11 ' A' ' 45' ' ' LEU . 5.2 tp -84.71 -7.76 59.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 55' ' ' VAL . 17.9 tt0 -111.35 14.61 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.72 -59.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -77.96 -22.06 50.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.9 m-85 -120.66 -35.83 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.93 45.76 31.81 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 49' ' ' LEU . 3.5 p -76.76 164.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.39 32.14 4.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.008 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -57.34 116.35 13.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 121.16 6.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.603 ' CG2' ' CD1' ' A' ' 46' ' ' LEU . 45.1 t -85.64 3.53 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.42 -41.86 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' PHE . 4.3 tt0 174.83 47.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -52.96 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -95.38 88.9 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.15 -30.0 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HD2' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -60.56 -33.58 72.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 63' ' ' ASP . 24.2 tt0 -88.06 -23.8 23.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.512 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 66.0 m95 -106.06 22.37 15.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.094 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -94.92 -39.47 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.3 p -112.06 162.93 19.07 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.99 -32.35 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t30 -66.93 -53.04 35.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.1 mttp -54.53 -33.18 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 58.1 mt -80.45 -46.2 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.8 mt -53.2 -21.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB1' HE22 ' A' ' 79' ' ' GLN . . . -90.16 -24.24 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.9 mmtt -67.92 -43.37 79.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 6' ' ' ILE . 10.0 t -62.12 -44.33 98.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -66.26 -35.09 79.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.487 HE22 ' HB1' ' A' ' 75' ' ' ALA . 1.2 mp0 -93.83 28.65 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.6 -46.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.46 -176.39 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -77.89 0.45 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.58 61.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mt -88.86 -47.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -35.34 80.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.49 -52.05 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.52 -41.6 88.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.942 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.637 ' O ' HD23 ' A' ' 14' ' ' LEU . 20.7 t -63.12 -44.84 99.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -72.49 -30.63 64.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -79.95 -18.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.0 mm? -80.43 -58.29 3.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.48 66.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.2 -35.36 76.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 45' ' ' LEU . 2.4 mt -61.51 -56.92 14.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.668 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.4 p -71.31 -50.65 30.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 3.32 30.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.566 1.166 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.05 162.67 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 20.94 9.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 5.1 t0 -79.31 -42.72 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -80.05 -11.48 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HA ' HD22 ' A' ' 11' ' ' LEU . 68.8 tttt -69.16 -37.24 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -42.88 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 61.5 m-20 -67.83 140.37 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.44 32.34 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.6 31.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 20.9 tp -81.92 92.28 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -40.48 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD21 HD12 ' A' ' 14' ' ' LEU . 3.9 mt -58.84 -17.26 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -94.39 -56.0 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -67.24 -10.61 52.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.553 HG22 ' HG ' ' A' ' 36' ' ' LEU . 97.7 m -96.76 -15.02 21.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.55 10.83 38.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.408 1.068 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD22 ' HB ' ' A' ' 18' ' ' THR . 8.4 mt -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.81 167.78 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.6 OUTLIER -126.66 6.18 6.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.5 t 86.75 -47.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -25.34 62.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.33 95.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.539 1.149 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.8 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.43 -43.01 67.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 110.394 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.31 -54.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.6 tt0 -63.08 -49.85 72.87 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.71 -29.5 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.95 -37.15 70.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.82 -39.01 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.73 -27.01 55.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD12 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -84.7 -12.17 54.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.52 12.99 24.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 t -118.94 -58.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm100 -83.21 -27.77 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.2 m-85 -116.65 -7.23 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.99 44.31 2.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 80' ' ' ALA . 2.7 p -69.35 164.21 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -131.62 113.29 13.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.81 156.78 38.51 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.16 13.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLU . 14.2 t -137.94 -45.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.6 p -36.12 -33.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.7 OUTLIER 178.43 56.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.8 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER -53.59 -170.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 82.46 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.174 . . . . 0.0 109.242 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.24 -27.9 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -61.16 -33.06 72.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 17.6 tt0 -85.57 -26.27 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.494 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 11.1 m95 -105.42 21.65 16.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 107.99 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -93.45 -34.96 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 11.9 p -120.33 160.31 44.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.1 Cg_endo -75.05 -26.18 11.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 72' ' ' LYS . 12.4 p30 -72.01 -43.06 65.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 3.7 mttp -67.1 -30.66 70.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 52.8 mt -79.41 -53.14 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 10' ' ' VAL . 4.6 mt -49.88 -27.26 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.73 -33.89 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 16.0 tptt -70.0 -24.9 63.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.612 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 44.8 t -84.72 -29.93 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.388 1.055 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.9 18.58 4.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.392 1.057 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.674 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -115.55 -46.45 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 60.56 97.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -146.01 17.43 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.12 -16.66 30.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.1 mt -89.89 -49.22 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -36.73 76.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.0 t-20 -74.69 -58.95 2.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.42 -42.87 34.73 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.2 t -58.01 -47.86 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 11' ' ' LEU . 5.6 tp -69.28 -46.36 67.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.28 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -77.2 -24.04 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -80.02 -57.12 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -23.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -80.29 -42.82 22.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -56.37 -46.49 80.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.699 ' HB ' HD22 ' A' ' 36' ' ' LEU . 71.2 p -73.71 -55.84 5.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.81 2.94 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.55 173.44 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.786 . . . . 0.0 110.07 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.03 71.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HD21 ' A' ' 29' ' ' LEU . 1.9 t70 -126.87 -42.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.926 HG23 ' HB3' ' A' ' 29' ' ' LEU . 3.3 p -86.68 2.14 5.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -31.91 19.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -42.04 9.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -81.14 133.2 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -104.93 36.35 2.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.68 32.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.926 ' HB3' HG23 ' A' ' 23' ' ' VAL . 4.6 tp -90.92 98.53 11.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.749 ' O ' HG23 ' A' ' 34' ' ' THR . 7.8 m120 -51.77 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -48.77 -24.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.5 m-85 -87.64 -47.36 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 2.9 tt0 -73.4 -11.4 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.896 HG21 ' HG ' ' A' ' 29' ' ' LEU . 49.9 p -97.23 -17.66 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.69 37.41 84.56 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.699 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.0 mt -107.72 -20.42 13.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 0.723 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 31' ' ' LEU . 2.0 mt -90.62 173.35 8.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLY . 50.5 m-20 -132.93 137.3 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -36.81 2.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -22.96 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -57.73 -66.41 2.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.606 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -40.05 -41.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.431 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.56 -51.2 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.1 tt0 -58.57 -48.16 81.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.67 -39.28 11.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.975 HD13 HG22 ' A' ' 59' ' ' VAL . 1.9 mt -63.04 -37.76 88.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -60.54 -39.43 87.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -26.1 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -83.83 -10.19 58.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -114.99 14.06 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.236 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -118.05 -54.37 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.8 mm100 -89.16 -22.62 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 1.1 m-85 -119.06 -10.54 9.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.12 36.07 14.81 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' ' HB1' ' A' ' 80' ' ' ALA . 12.2 p -41.5 155.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -121.32 50.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.96 153.76 40.7 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.975 HG22 HD13 ' A' ' 46' ' ' LEU . 92.9 t -127.43 -44.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 p -38.96 -48.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.35 79.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG21 ' A' ' 42' ' ' THR . 18.5 p90 -86.24 148.78 25.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 27.3 t0 -62.37 89.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 11.6 mmm-85 -50.11 -38.97 41.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.77 -32.45 69.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 29.5 tt0 -84.7 -27.26 27.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 63.1 m95 -103.08 22.39 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.73 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -103.4 -29.33 11.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.59 156.2 45.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.457 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.867 ' HG3' HG22 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -31.22 6.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -70.12 -48.25 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.14 -54.89 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.3 mt -46.59 -27.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.34 24.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 18.6 tptt -63.05 -36.9 85.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.581 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 46.2 t -68.55 -41.51 83.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.55 -29.86 65.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.12 22.4 3.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 55' ' ' VAL . . . -117.76 -43.76 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -144.99 157.72 44.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 88.94 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.437 1.085 . . . . 0.0 110.328 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.97 -4.88 31.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.9 mt -99.1 -50.63 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -31.3 71.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.373 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -81.02 -56.16 4.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.81 -46.85 59.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.558 1.161 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.2 t -53.89 -40.12 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 0.785 . . . . 0.0 109.26 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -75.11 -48.39 24.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.46 -39.22 72.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -75.49 -18.68 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD12 HG21 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -78.49 -58.41 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -22.68 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -74.38 -43.3 57.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.984 HD22 HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -62.44 -56.3 19.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.4 p -60.92 -26.9 67.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.8 8.07 87.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 168.52 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.11 81.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -127.7 -44.23 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.807 HG12 HD23 ' A' ' 29' ' ' LEU . 7.1 m -78.67 -13.66 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.3 tmtm? -64.79 -36.87 85.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -44.73 7.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.41 143.38 40.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 7.5 mt -121.17 28.85 7.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.02 30.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.807 HD23 HG12 ' A' ' 23' ' ' VAL . 9.2 tp -88.79 97.94 11.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.1 m120 -38.78 117.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD21 HG11 ' A' ' 23' ' ' VAL . 27.4 mt -81.5 3.95 22.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 38' ' ' ASP . 8.3 m-85 -126.53 -41.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -13.15 60.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.647 HG22 HD23 ' A' ' 36' ' ' LEU . 85.5 m -98.17 -13.9 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.87 -2.09 88.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 HG22 ' A' ' 34' ' ' THR . 0.3 OUTLIER -58.72 -43.12 90.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.984 HD21 HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -124.66 147.45 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.558 ' H ' HD13 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -110.69 -60.36 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -179.0 -54.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -31.41 29.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -69.65 -38.39 77.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.46 -23.71 66.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 110.404 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -70.9 -54.57 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 13.9 tt0 -58.71 -50.94 72.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.92 -37.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -66.84 -35.38 79.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.59 -38.56 90.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -27.3 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD21 HG22 ' A' ' 10' ' ' VAL . 9.8 mt -83.46 -10.41 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -112.09 15.7 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.16 -57.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -84.34 -23.73 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.768 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -118.29 -15.79 9.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 46.99 47.58 19.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.427 1.08 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.02 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.1 p -76.54 157.38 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.08 88.44 2.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -114.66 155.58 45.94 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.259 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -177.3 3.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.6 t -151.91 -44.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' VAL . 20.1 p -37.29 -32.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -171.64 41.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 42' ' ' THR . 46.7 p90 -43.04 137.65 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.2 OUTLIER -59.06 82.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -46.74 -29.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -60.25 -35.01 74.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 33.4 tt0 -88.93 -21.76 23.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 45.0 m95 -106.54 21.0 18.15 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -100.09 -35.79 9.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.77 158.42 33.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -34.13 4.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.3 m-20 -66.84 -54.83 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.4 mtmm -52.84 -33.8 51.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.3 mt -79.42 -51.82 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.496 HG13 HG11 ' A' ' 10' ' ' VAL . 2.2 mt -50.33 -23.83 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.12 -33.67 24.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 15.2 tptt -68.88 -34.3 75.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.562 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 47.9 t -72.9 -37.35 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.228 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.32 -32.07 66.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.72 27.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.02 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.87 -48.82 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 80.11 51.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 4.7 mt-10 -114.28 -32.25 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.22 -6.11 32.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 10' ' ' VAL . 4.1 mt -95.37 -43.51 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -41.55 67.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -67.36 -56.83 8.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.34 -50.61 40.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.457 1.098 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.942 ' O ' HD13 ' A' ' 14' ' ' LEU . 14.4 t -51.71 -46.7 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -67.01 -48.48 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.384 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.74 -51.82 66.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' HD13 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -64.1 -15.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.942 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.1 mp -86.29 -63.69 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -25.64 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -33.96 32.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.905 HD23 HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -63.11 -49.54 74.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.829 ' HB ' HD12 ' A' ' 36' ' ' LEU . 21.8 p -79.96 -34.99 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.91 -15.72 62.81 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -125.63 148.43 48.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.82 51.8 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.79 ' OD2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -89.93 -48.11 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG12 HD23 ' A' ' 29' ' ' LEU . 6.2 m -84.99 -15.36 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.85 ' HA ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.7 -39.86 90.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -66.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 3.5 m120 -67.17 123.94 21.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 5.8 mt -93.31 31.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.61 30.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD23 HG12 ' A' ' 23' ' ' VAL . 23.7 tp -90.65 98.27 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.3 m120 -39.3 116.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -76.06 -8.72 57.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE2' ' NE ' ' A' ' 64' ' ' ARG . 37.2 m-85 -109.95 -47.94 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -68.39 -14.79 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' CD2' ' A' ' 36' ' ' LEU . 63.7 m -96.08 -14.19 23.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.22 26.76 63.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.168 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.7 mm? -91.76 -18.81 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.905 HD11 HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -133.15 173.26 11.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.36 -55.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p 169.55 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.5 mmm -61.76 -28.6 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.29 -50.93 61.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.075 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.698 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -54.45 -38.32 66.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 0.741 . . . . 0.0 110.379 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.13 -49.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.4 tt0 -64.94 -55.68 17.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.062 . . . . 0.0 110.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -43.75 -42.5 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.2 mt -58.08 -44.41 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -51.88 -42.48 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.57 -21.09 38.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.734 HD21 HG22 ' A' ' 77' ' ' VAL . 1.3 tp -85.5 -7.65 58.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -116.89 13.56 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.9 t -120.85 -54.39 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.068 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -85.65 -23.58 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.705 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -116.65 -29.23 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.57 29.84 72.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 57' ' ' ALA . 98.7 t -59.22 145.83 10.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.59 28.22 8.94 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.804 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -53.93 153.73 8.35 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.92 41.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' A' ' 46' ' ' LEU . 2.0 t -124.38 2.08 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.6 77.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 72.38 44.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.698 ' CE2' HG21 ' A' ' 42' ' ' THR . 3.7 p90 -52.74 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 23.6 t0 -83.35 86.92 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' NE ' ' CE2' ' A' ' 32' ' ' PHE . 22.7 mmm-85 -49.48 -35.63 20.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -30.67 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 35.2 tt0 -86.35 -26.23 24.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.505 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 28.9 m95 -107.83 24.89 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.018 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -96.77 -34.88 11.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.478 HG23 ' OD2' ' A' ' 68' ' ' ASP . 41.5 p -119.91 161.16 39.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.808 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.0 t30 -72.63 -49.5 31.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 2.2 mttp -60.38 -32.67 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.822 ' O ' HG23 ' A' ' 77' ' ' VAL . 10.0 mt -78.16 -50.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -48.38 -32.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.279 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 79' ' ' GLN . . . -84.34 -29.54 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 tptp -76.13 -16.44 59.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 73' ' ' ILE . 42.9 t -85.02 -42.05 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -15.7 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -101.61 19.2 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -115.26 -36.27 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 45.3 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.87 125.51 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -7.0 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.01 -11.02 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG12 ' CD1' ' A' ' 53' ' ' PHE . 29.0 mt -95.25 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -53.08 -31.85 43.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.85 -55.25 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.63 -38.66 96.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.746 HG23 ' HE2' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -61.73 -31.74 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.4 tp -80.77 -39.05 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.06 -24.27 65.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.35 -13.69 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' THR . 9.6 mt -86.53 -48.23 8.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.59 68.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -33.54 62.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -56.37 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.846 ' HB ' HD22 ' A' ' 36' ' ' LEU . 34.0 p -62.48 -30.21 71.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.5 6.55 70.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -143.19 176.12 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 0.822 . . . . 0.0 109.933 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 79.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.235 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.84 -44.06 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 31' ' ' LEU . 16.6 m -77.63 -11.62 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -70.93 -36.14 72.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -95.05 -45.37 7.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -75.21 148.52 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.39 26.92 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.32 30.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD23 HG12 ' A' ' 23' ' ' VAL . 12.8 tp -87.59 98.05 11.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -38.76 114.1 0.36 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 68' ' ' ASP . 2.5 mt -77.26 -0.48 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' CD1' ' NH2' ' A' ' 64' ' ' ARG . 2.6 m-85 -115.07 -55.9 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -16.12 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 110.244 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 79.0 m -91.53 -16.2 27.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.21 -7.45 63.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.846 HD22 ' HB ' ' A' ' 18' ' ' THR . 19.2 mt -52.25 -36.87 53.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD21 ' H ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.81 163.54 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -122.13 -62.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.28 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -31.84 70.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.75 84.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.691 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -48.44 -48.39 37.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.579 ' HA ' HD23 ' A' ' 46' ' ' LEU . 35.4 t -53.42 -64.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LEU . 12.4 tt0 -43.71 -58.42 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.808 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.92 -45.68 41.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.1 OUTLIER -62.07 -26.77 68.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -70.7 -38.25 73.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -24.95 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.808 ' HG ' HD12 ' A' ' 45' ' ' LEU . 1.2 mt -82.96 -30.01 28.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -88.31 12.04 15.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.76 -50.96 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 110.061 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -88.06 -33.35 18.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.368 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.746 ' HE2' HG23 ' A' ' 10' ' ' VAL . 1.8 m-30 -113.18 -4.53 13.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 41.42 44.28 3.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.48 HG23 ' HB2' ' A' ' 80' ' ' ALA . 8.5 p -68.12 158.06 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.83 41.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.048 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -58.69 110.24 2.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 154.68 43.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.5 t -123.95 2.09 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.76 68.78 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 62.06 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.617 1.198 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 42' ' ' THR . 7.7 p90 -61.1 -169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -99.47 100.18 11.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 32' ' ' PHE . 20.4 mtp180 -56.63 -29.73 62.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.202 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -62.0 -31.98 72.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 27.2 tt0 -83.86 -26.77 29.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 45.4 m95 -106.5 21.55 17.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -96.43 -36.83 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.2 p -112.47 161.84 24.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -34.43 3.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.789 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -66.48 -53.62 33.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.2 mttp -52.23 -35.03 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 67.0 mt -79.64 -51.7 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.618 HG12 HG11 ' A' ' 10' ' ' VAL . 14.4 mt -47.12 -31.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.75 -38.78 58.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 3.4 tptt -63.93 -27.41 69.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 38.6 t -81.48 -31.51 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.06 -27.55 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.258 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.22 21.37 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.84 -41.87 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.428 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.21 -172.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.59 -11.14 14.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -16.87 64.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 109.331 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -87.15 -44.57 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.403 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -70.29 -46.22 64.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -64.56 -47.49 78.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' ILE . . . -59.43 -54.48 37.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.915 HG22 HD21 ' A' ' 49' ' ' LEU . 2.8 t -49.39 -44.69 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.7 tp -69.71 -47.73 62.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -28.3 64.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLY . 4.1 mt -86.48 -19.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 70' ' ' PRO . 6.1 mt -82.65 -52.57 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 20' ' ' SER . . . -64.88 -27.88 69.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -74.09 -39.1 63.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -63.32 -55.61 23.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.631 HG21 HD23 ' A' ' 31' ' ' LEU . 77.9 p -67.7 -44.12 78.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.408 1.068 . . . . 0.0 110.436 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.55 14.5 37.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.57 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -114.45 159.31 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 110.086 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.38 -12.0 15.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.43 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 31' ' ' LEU . 15.0 p -84.38 -17.98 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -69.33 -29.4 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.87 -44.56 6.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 29' ' ' LEU . 2.5 m120 -66.37 144.18 56.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -115.56 -17.06 11.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -128.47 39.64 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' ASN . 9.5 tp -97.78 104.79 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 33' ' ' GLU . 10.0 m120 -38.4 127.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.4 mt -92.67 -24.3 18.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 67.1 m-85 -111.12 -34.04 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 3.2 tt0 -72.91 -15.49 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.0 m -98.53 -10.89 22.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.19 34.91 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.537 1.148 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LEU . 11.0 mt -98.39 -31.26 12.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 HD23 ' A' ' 17' ' ' LEU . 7.5 mt -126.38 158.05 36.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.2 -54.12 2.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER 178.73 -70.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ptp -38.39 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.605 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.81 -50.07 60.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.596 1.185 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -52.49 -33.67 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.773 . . . . 0.0 110.421 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.15 -53.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.9 tt0 -57.41 -52.56 64.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.91 -41.01 23.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.393 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.0 mt -64.33 -32.74 74.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.12 -39.31 93.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 -25.41 42.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.915 HD21 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -83.61 -9.9 58.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -110.95 14.53 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -120.57 -58.51 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm100 -84.43 -26.08 28.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.886 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.1 m-85 -117.42 -7.37 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.73 47.34 2.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.531 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.0 p -70.9 164.65 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.49 28.84 5.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -41.66 152.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.431 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.05 177.86 8.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.431 HG23 ' C ' ' A' ' 58' ' ' PRO . 23.0 t -152.68 -45.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.9 -33.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.041 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 179.21 75.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.414 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 19.0 p90 -77.48 -179.79 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -101.74 102.75 13.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.655 ' NH2' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -53.4 -32.99 52.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -63.36 -30.83 71.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 29.0 tt0 -87.3 -25.14 24.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 60.4 m95 -109.82 26.66 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.706 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -105.24 -31.08 9.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 6.0 p -115.32 157.92 42.64 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.492 ' HB3' HD13 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.96 -22.72 14.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 10.5 t30 -75.82 -53.8 7.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 1.8 mttp -54.49 -35.0 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.467 HG12 ' CE3' ' A' ' 67' ' ' TRP . 20.0 mt -75.37 -49.63 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.212 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.556 HG13 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -50.29 -36.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.02 -30.84 65.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' ILE . 3.8 mmtt -68.42 -37.04 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 10' ' ' VAL . 25.6 t -70.91 -38.63 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.08 -30.31 66.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -90.91 25.03 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -123.91 -44.88 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.354 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 57.13 170.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 89.5 -24.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.15 -8.52 54.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -93.04 -47.59 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -68.58 -52.91 26.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.72 -49.94 45.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 49' ' ' LEU . 2.9 t -52.71 -48.69 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -66.84 -49.83 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -58.11 8.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.01 -21.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -83.98 -59.08 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.18 -33.1 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -40.47 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -61.02 -54.61 42.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.871 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.3 p -70.76 -28.71 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.65 14.77 81.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -120.84 145.9 47.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.943 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.7 20.08 10.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -81.62 -34.41 30.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 70' ' ' PRO . 12.9 p -77.32 -37.1 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HA ' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -51.8 -22.17 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -74.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.47 135.68 33.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 4.6 mt -107.59 32.98 4.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.27 30.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 22' ' ' ASP . 14.6 tp -81.78 94.78 7.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -38.84 120.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.65 8.92 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.374 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -128.96 -53.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -68.2 -13.39 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 46.7 m -91.11 -17.79 25.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.36 3.41 84.5 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.871 HD22 ' HB ' ' A' ' 18' ' ' THR . 56.9 mt -65.3 -45.63 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -120.71 172.71 7.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.12 -56.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 t -176.73 -57.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -29.49 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.4 -51.11 60.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.376 1.048 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.552 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -45.63 -43.88 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.597 0.822 . . . . 0.0 110.398 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.8 t -51.15 -38.68 19.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' HG2' HD11 ' A' ' 17' ' ' LEU . 5.4 tt0 -64.67 -71.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.65 -48.39 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.369 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.938 HD21 ' HB3' ' A' ' 57' ' ' ALA . 5.1 mt -49.43 -44.75 45.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -69.76 -24.41 63.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp10 -90.61 -13.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.76 HD13 HG22 ' A' ' 77' ' ' VAL . 14.2 mt -99.6 -13.9 19.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -102.93 18.13 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.57 -59.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -76.19 -22.18 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.682 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -123.02 -35.87 2.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.61 45.56 10.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.82 167.4 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -137.52 129.7 29.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.938 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -152.73 124.11 3.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 110.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' CD1' ' A' ' 46' ' ' LEU . 21.1 t -71.02 -7.13 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.87 -46.32 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.92 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.3 p90 -77.0 -170.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 66' ' ' GLU . 9.0 t0 -86.73 81.8 8.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.03 -35.94 7.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -29.9 37.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 28.2 tt0 -83.89 -26.99 28.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 12.5 m95 -104.31 20.76 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.033 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.19 -35.1 11.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -113.49 163.51 18.23 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.678 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.06 -39.32 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.829 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -62.64 -56.04 21.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.4 mttp -49.81 -34.81 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 13.0 mt -78.37 -55.08 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 2.7 mt -45.65 -27.27 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.39 18.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.219 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.5 tptp -62.44 -36.29 81.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.76 HG22 HD13 ' A' ' 49' ' ' LEU . 38.5 t -77.2 -27.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 74' ' ' ILE . 3.8 mm-40 -84.37 -22.24 30.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.35 17.64 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -110.43 -45.63 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.336 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.41 174.32 6.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -100.22 -15.78 17.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.79 -9.22 58.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.6 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -93.47 -47.25 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -66.16 -34.41 77.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.33 -53.26 9.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.86 -48.8 60.89 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.897 HG22 HD21 ' A' ' 49' ' ' LEU . 4.3 t -53.84 -42.41 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.395 0.703 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -73.02 -49.08 30.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -55.45 -48.85 73.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.8 -22.19 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.244 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 31' ' ' LEU . 1.1 tp -81.9 -64.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -20.14 25.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 18.8 t0 -82.67 -31.34 28.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.75 -54.59 8.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' HD12 ' A' ' 36' ' ' LEU . 20.8 p -60.59 -21.31 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.43 29.31 70.11 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -151.3 163.75 38.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.87 76.99 1.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 t0 -125.05 -43.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.746 HG11 HD21 ' A' ' 31' ' ' LEU . 7.1 m -77.15 -33.26 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -25.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 23' ' ' VAL . 8.3 tmtm? -104.98 -77.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 35.6 m-80 -49.38 141.5 8.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -116.21 27.25 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.47 29.61 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 8.5 tp -84.89 96.77 9.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -39.2 121.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.068 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD21 HG11 ' A' ' 23' ' ' VAL . 63.5 mt -86.92 10.6 15.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -127.71 -54.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -14.15 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.72 ' CG2' HD23 ' A' ' 36' ' ' LEU . 20.3 m -94.64 -17.38 22.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.96 3.53 90.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD23 ' CG2' ' A' ' 34' ' ' THR . 2.9 mm? -56.87 -42.73 80.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 41' ' ' GLY . 5.3 mt -119.49 172.61 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.38 -88.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 p -153.8 -50.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.2 mmm -65.28 -18.5 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -64.75 -55.93 19.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.564 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.05 -36.05 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.75 -30.05 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' LEU . 26.4 tt0 -72.7 -68.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.719 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -41.37 -47.0 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' HG22 ' A' ' 59' ' ' VAL . 1.3 mt -50.38 -45.28 55.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.96 -22.77 65.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.8 tp10 -91.24 -18.84 23.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.912 HD13 HG22 ' A' ' 77' ' ' VAL . 11.8 mt -93.38 -13.03 28.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -108.81 21.06 17.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.79 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.0 mm100 -80.16 -21.29 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.863 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -120.86 -31.75 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 47.59 57.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.007 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.5 p -79.17 164.56 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -130.59 115.62 17.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -150.84 160.35 32.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.96 -171.92 1.11 Allowed 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.438 1.757 . . . . 0.0 111.036 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 57.9 t -153.04 -44.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 59' ' ' VAL . 16.6 p -34.64 -69.06 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.8 53.4 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -56.9 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -95.09 78.85 3.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -42.7 -27.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ASP . 2.1 tppp? -56.13 -37.88 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 32.4 tt0 -80.39 -27.75 38.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.6 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 9.7 m95 -101.33 21.54 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 107.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -97.24 -37.16 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.434 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.2 p -111.31 160.22 30.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.609 1.193 . . . . 0.0 110.371 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 18.5 Cg_endo -74.98 -33.37 4.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -49.2 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 5.3 mttp -59.28 -31.0 68.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 64.5 mt -81.54 -56.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.421 HG13 ' CG1' ' A' ' 10' ' ' VAL . 3.5 mt -47.23 -25.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.38 -41.99 38.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.591 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 7.0 tptt -65.04 -27.78 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG22 HD13 ' A' ' 49' ' ' LEU . 28.7 t -79.06 -35.72 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.35 -25.5 42.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -91.31 20.94 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.007 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -120.24 -42.43 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 153.24 46.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.17 -10.84 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.53 -13.68 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.405 1.066 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.654 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.7 mt -88.74 -51.91 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.95 -43.05 95.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -66.72 -60.96 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.69 -46.17 18.27 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 6' ' ' ILE . 25.6 t -54.82 -49.47 69.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.326 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -67.13 -48.87 66.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 2.2 t0 -55.24 -38.75 68.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.1 mt -71.31 -23.85 23.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.073 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 mm? -85.14 -62.01 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.49 54.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 12.4 t0 -70.39 -43.67 69.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -53.57 -51.56 62.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.604 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.6 p -69.34 -50.52 45.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.06 18.2 27.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.0 m -129.52 169.34 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -111.8 54.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.9 t0 -113.25 -33.81 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 70' ' ' PRO . 7.5 p -87.89 -14.81 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -1.28 26.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -128.6 -57.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.7 m120 -65.63 142.83 57.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -117.0 30.99 7.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.9 31.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.9 ' HG ' HG21 ' A' ' 34' ' ' THR . 4.5 tp -84.62 97.06 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.667 ' O ' HG23 ' A' ' 34' ' ' THR . 12.8 m120 -51.25 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LEU . 6.4 mt -47.05 -24.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.636 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 5.9 m-85 -87.27 -48.73 7.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -71.98 -11.55 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.9 HG21 ' HG ' ' A' ' 29' ' ' LEU . 41.6 p -96.93 -18.51 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.71 35.76 92.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 18' ' ' THR . 4.5 mt -103.7 -12.05 17.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 42' ' ' THR . 6.4 tp -95.83 174.63 6.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 95.2 m-20 -127.54 136.83 52.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -24.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.959 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.419 ' N ' ' C ' ' A' ' 38' ' ' ASP . 1.4 mmt -107.0 -19.12 13.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.59 1.181 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -61.53 -69.47 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -38.92 -36.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 110.395 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.34 -53.09 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' LEU . 10.6 tt0 -56.19 -46.38 79.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.76 -35.06 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 59' ' ' VAL . 2.4 mt -66.87 -33.97 76.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -64.02 -38.73 92.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -24.35 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 HD11 ' A' ' 45' ' ' LEU . 9.3 mt -83.94 -10.58 57.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 14.8 tt0 -111.19 10.8 21.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.26 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.78 -57.85 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm100 -82.25 -24.9 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.31 -9.39 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 47.1 37.04 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.601 HG23 ' CB ' ' A' ' 80' ' ' ALA . 8.2 p -43.63 148.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.79 51.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.76 153.33 43.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.3 41.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.599 HG22 HD13 ' A' ' 46' ' ' LEU . 12.9 t -117.46 -39.09 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 p -39.62 -55.02 1.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.65 76.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 42' ' ' THR . 4.3 p90 -74.65 167.82 21.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.86 94.95 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.636 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 34.8 mtp180 -53.14 -30.09 34.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -30.79 71.85 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 21.5 tt0 -87.9 -25.28 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 38.7 m95 -107.44 23.46 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -99.65 -33.3 10.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.425 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.1 p -115.23 160.36 34.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.96 -31.17 6.49 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.65 -52.42 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 3.6 mttp -54.18 -34.83 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 51.5 mt -77.99 -54.33 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mt -47.38 -25.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB1' HE21 ' A' ' 79' ' ' GLN . . . -87.84 -37.68 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 8.8 tptt -65.6 -27.42 68.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 88.0 t -72.73 -44.26 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.43 -27.8 46.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.509 HE21 ' HB1' ' A' ' 75' ' ' ALA . 44.6 mt-30 -90.34 19.6 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.601 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.32 -42.56 2.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' NE2' HD13 ' A' ' 6' ' ' ILE . 10.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' ALA . 3.4 m-20 72.64 -158.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.3 -24.23 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . -56.45 -18.42 11.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.386 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mt -84.61 -43.57 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 74' ' ' ILE . 16.3 ttmt -71.44 -39.59 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -72.34 -55.96 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.57 -37.11 8.47 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 77' ' ' VAL . 2.2 t -64.5 -52.42 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.7 tp -63.59 -39.61 94.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.71 -28.34 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 mt -93.2 -11.6 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HD22 ' A' ' 45' ' ' LEU . 1.2 tp -90.89 -48.29 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.48 71.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -74.25 -37.44 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -60.81 -54.23 47.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.561 ' HB ' HD13 ' A' ' 36' ' ' LEU . 75.0 p -61.51 -46.81 88.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.11 12.69 48.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.05 177.72 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -121.4 80.1 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -140.56 -43.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' HG3' ' A' ' 70' ' ' PRO . 8.6 p -78.0 -9.27 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.65 -25.81 59.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -104.71 -59.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.582 ' CB ' HD13 ' A' ' 29' ' ' LEU . 5.7 m-80 -66.47 128.79 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -108.65 34.86 3.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.5 32.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.908 ' O ' HG22 ' A' ' 69' ' ' THR . 5.4 tp -70.21 -161.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -137.24 86.36 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD21 HG21 ' A' ' 23' ' ' VAL . 14.1 mt -53.3 -19.68 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -94.45 -57.9 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -12.11 47.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.62 HG22 ' HG ' ' A' ' 36' ' ' LEU . 91.9 m -90.85 -16.66 27.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.79 60.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HG ' HG22 ' A' ' 34' ' ' THR . 15.0 mt -68.75 -32.38 72.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -129.93 173.37 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.726 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -148.12 -47.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.8 t 177.24 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.3 mmt -48.91 -32.62 9.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -59.55 -48.5 85.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.01 -42.51 49.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -51.29 -47.77 33.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.7 tt0 -69.3 -55.96 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.97 -37.01 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.6 mt -65.41 -38.48 90.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.85 -42.96 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.16 -24.63 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.991 ' O ' HG12 ' A' ' 55' ' ' VAL . 2.9 tp -83.59 -7.41 59.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -115.64 14.02 16.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.72 -56.24 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -85.71 -24.88 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.706 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 2.7 m-85 -115.7 -20.31 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 50.94 47.35 48.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.991 HG12 ' O ' ' A' ' 49' ' ' LEU . 11.7 p -80.44 154.88 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.51 0.771 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.12 57.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -81.21 152.12 70.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.622 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.0 -174.25 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.535 1.808 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 58' ' ' PRO . 46.7 t -159.05 -42.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.512 ' C ' ' O ' ' A' ' 59' ' ' VAL . 4.3 p -30.51 -51.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.607 1.192 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.68 76.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -91.19 -170.48 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -82.91 81.75 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.21 -24.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -35.28 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 14.2 tt0 -82.11 -25.41 34.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.627 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 20.4 m95 -102.76 16.49 26.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 108.002 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.37 -30.77 14.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.908 HG22 ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -114.93 159.31 38.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.684 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -35.26 3.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 m-20 -66.82 -54.66 20.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.1 mtmm -52.81 -30.68 34.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.4 mt -79.92 -44.93 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 7' ' ' LYS . 1.1 mt -58.38 -24.05 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.81 -7.25 58.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -100.94 -14.92 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 10' ' ' VAL . 47.8 t -90.56 -38.53 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -17.53 38.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.92 19.46 13.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.577 1.173 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.21 -41.12 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 151.89 20.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.597 1.186 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 171.56 -32.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.75 -8.73 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 mt -92.62 -47.44 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.211 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.79 -39.73 84.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.3 t-20 -71.55 -48.39 48.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.18 60.46 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.527 1.142 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.1 t -52.63 -39.52 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -76.03 -46.6 28.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.94 -31.83 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.374 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -82.4 -18.19 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -81.09 -55.51 4.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -58.21 -33.69 69.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.57 -33.82 67.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD21 ' CA ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -63.4 -55.02 27.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.647 ' HB ' HD22 ' A' ' 36' ' ' LEU . 36.3 p -70.33 -45.28 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 6.71 40.56 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.98 164.59 22.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.583 0.814 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.32 21.45 10.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.63 38.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.8 p -76.09 -22.23 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -18.43 45.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -71.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -45.4 145.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -116.37 -9.0 11.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.29 33.62 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD21 HD12 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -80.64 94.29 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.9 m120 -39.91 104.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 68' ' ' ASP . 3.4 mt -67.16 -9.89 44.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -107.89 -49.81 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -12.08 60.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 92.9 m -95.16 -14.88 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.47 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.19 12.66 81.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.798 HD12 HD21 ' A' ' 29' ' ' LEU . 11.9 mt -79.21 -29.72 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 163.38 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.11 -57.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t 172.13 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mmm -68.64 -33.26 73.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -55.85 -53.75 39.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -47.41 -48.59 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.1 t -43.41 -50.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 7.5 tt0 -65.62 -52.31 52.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.64 -38.12 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.035 HD21 ' HB3' ' A' ' 57' ' ' ALA . 2.6 mt -63.34 -41.9 98.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.52 -43.02 64.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -24.74 40.07 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 5.1 tp -83.76 -7.66 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.7 tt0 -113.23 12.55 18.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.4 p -123.72 -58.86 1.56 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 8.5 mm100 -78.28 -21.84 49.17 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 6' ' ' ILE . 1.6 m-85 -120.6 -35.52 3.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.33 44.59 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.491 HG11 HD23 ' A' ' 49' ' ' LEU . 1.6 p -76.99 163.14 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.98 54.04 1.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.035 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -73.51 116.56 52.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.32 5.59 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.02 4.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.03 56.82 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.057 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.96 78.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 1.2 p90 -92.48 -170.2 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -83.88 79.37 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.52 -25.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -35.0 73.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 9.2 tt0 -80.58 -28.51 37.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 14.5 m95 -100.16 16.23 24.87 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -89.04 -34.41 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 10.9 p -120.3 159.04 49.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.7 Cg_endo -74.92 -29.04 8.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.442 1.759 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 7.6 t30 -68.02 -44.06 77.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.6 mttm -68.85 -26.77 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.51 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 21.2 mt -82.25 -51.25 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' CG1' HG11 ' A' ' 10' ' ' VAL . 5.2 mt -53.22 -21.93 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.94 -25.16 26.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' CE ' ' OE1' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -72.88 -40.57 65.48 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG21 HG21 ' A' ' 10' ' ' VAL . 42.6 t -64.91 -43.24 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.29 -33.59 74.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.91 23.24 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.07 -50.57 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.43 129.37 45.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 3.2 mt-10 -64.41 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.2 59.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -92.3 -52.31 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 4.3 t-20 -69.02 -59.33 3.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.55 -51.57 12.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.852 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.9 t -51.21 -52.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -63.03 -51.74 65.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -51.03 -57.65 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -56.7 -19.45 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' THR . 0.9 OUTLIER -82.98 -63.39 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.11 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.98 -44.37 97.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -56.75 -58.24 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.66 ' HB ' HD22 ' A' ' 36' ' ' LEU . 30.8 p -61.32 -48.85 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.27 9.17 28.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.57 155.46 50.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.993 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 9.44 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -58.11 -38.02 75.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.861 HG23 ' HG3' ' A' ' 70' ' ' PRO . 2.5 p -80.05 -26.43 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 13.6 tmtt? -59.08 -30.38 68.04 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.66 -47.26 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.528 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 13.2 t-20 -72.05 141.48 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -121.82 32.26 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.9 32.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' HG ' HG21 ' A' ' 34' ' ' THR . 6.1 tp -87.08 95.68 10.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.834 ' O ' HG23 ' A' ' 34' ' ' THR . 8.7 m120 -42.07 96.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.5 mt -55.51 -19.51 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -91.37 -48.7 6.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -68.34 -16.06 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 30' ' ' ASN . 37.7 p -88.89 -19.68 25.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -6.83 79.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.8 mt -59.3 -48.11 82.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.403 0.707 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -114.03 143.4 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.84 -55.04 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t 178.57 -57.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.401 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 88.0 mmm -53.43 -38.97 64.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.32 -41.82 87.86 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.651 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -57.24 -34.87 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.388 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' MET . 64.4 t -58.29 -20.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.394 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.5 tt0 -81.46 -66.63 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -41.99 -45.85 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD13 HG22 ' A' ' 59' ' ' VAL . 1.3 mt -51.08 -45.64 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.81 -23.38 65.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -89.36 -21.6 23.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 77' ' ' VAL . 12.5 mt -89.94 -17.59 27.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.24 26.18 9.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.78 -58.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 14.5 mm100 -82.5 -20.78 36.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.852 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.2 m-85 -121.93 -36.18 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.75 46.02 10.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.419 1.074 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 80' ' ' ALA . 3.6 p -72.8 159.64 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -131.03 113.91 14.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -157.91 159.07 30.54 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 46' ' ' LEU . 62.0 t -135.24 -44.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 26.2 p -38.09 -61.02 0.7 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -139.44 59.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.5 p90 -60.98 157.87 14.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.03 81.2 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.65 -36.66 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -31.43 68.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ASP . 21.0 tt0 -84.66 -26.77 27.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 22.3 m95 -103.81 18.85 21.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 108.016 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.3 OUTLIER -92.54 -36.43 13.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.496 HG23 ' OD2' ' A' ' 68' ' ' ASP . 1.1 p -113.04 162.9 19.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.861 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.92 -55.12 21.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.2 mttp -50.33 -33.27 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 77' ' ' VAL . 38.3 mt -79.44 -53.95 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -45.77 -33.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.71 64.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 2.6 tptt -65.2 -19.78 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 49' ' ' LEU . 21.9 t -86.16 -34.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -83.12 -20.19 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -94.01 19.23 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 55' ' ' VAL . . . -123.41 -43.93 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 5' ' ' ALA . 2.3 m-20 -88.31 -158.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.0 -22.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.232 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 3' ' ' ASP . . . -61.23 -14.68 27.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG12 ' CE2' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -87.69 -46.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.372 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -41.99 72.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -70.96 -48.54 52.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.64 -45.38 85.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.723 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.79 -49.35 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 3.9 tp -66.5 -43.92 83.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 7.6 t0 -60.2 -23.57 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.2 mt -95.14 -16.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -89.45 -45.4 9.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 -28.92 61.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.9 t0 -76.66 -15.78 59.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -87.69 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.555 ' HB ' HD13 ' A' ' 36' ' ' LEU . 66.5 p -53.25 -30.59 39.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.62 18.29 56.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 m -133.81 177.21 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.764 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -125.39 47.53 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.567 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -110.68 -38.15 5.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 31' ' ' LEU . 7.1 p -75.26 -3.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -82.33 -32.97 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -99.04 -46.82 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -71.89 144.3 49.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -119.87 27.89 8.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 22' ' ' ASP . 7.4 tp -83.94 95.63 8.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 34' ' ' THR . 8.8 m120 -39.96 117.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 14' ' ' LEU . 9.6 mt -78.02 -6.37 54.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.49 -45.9 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -14.56 63.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 91.3 m -93.16 -15.28 26.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.2 3.96 88.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 18' ' ' THR . 37.2 mt -63.75 -36.86 85.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 0.744 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD21 ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -127.82 174.37 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -136.83 -61.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 t -170.22 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -25.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.615 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -63.26 -52.06 50.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.532 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.59 -36.03 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 0.766 . . . . 0.0 110.432 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.69 -27.14 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' LEU . 19.8 tt0 -75.29 -67.15 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.79 -47.65 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.752 ' CD1' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -48.79 -44.18 38.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -67.91 -26.04 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp10 -88.0 -20.65 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD21 HG22 ' A' ' 10' ' ' VAL . 31.4 mt -90.33 -22.05 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -97.82 19.15 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -126.81 -60.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.1 mm-40 -83.22 -23.71 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.723 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -122.98 -2.26 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 37.29 47.02 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.887 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -71.88 164.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.72 44.66 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -69.85 147.4 96.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.04 17.15 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.752 HG22 ' CD1' ' A' ' 46' ' ' LEU . 13.4 t -141.0 -46.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 p -39.47 -30.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 59' ' ' VAL . 1.4 tt0 -169.94 70.56 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 53.6 p90 -83.28 119.84 25.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.96 95.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 68' ' ' ASP . 56.2 mtp180 -53.16 -24.64 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.3 tt0 -90.67 -21.53 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 58.6 m95 -108.34 23.41 14.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -102.36 -25.29 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.47 161.51 38.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.98 -37.69 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -57.46 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.2 mtmm -49.71 -33.7 16.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 ' CE3' ' A' ' 67' ' ' TRP . 6.0 mt -79.17 -55.34 9.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -45.24 -26.87 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 73' ' ' ILE . . . -79.02 -45.05 20.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 6.7 mmtt -53.68 -40.61 66.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 53' ' ' PHE . 79.1 t -69.78 -36.74 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.38 -36.98 84.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' LYS . 7.3 pt20 -90.68 31.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.887 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -130.27 -47.53 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 45.88 73.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.26 -7.46 10.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.83 -12.86 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -90.55 -50.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -61.05 -37.85 84.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.17 -57.27 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.84 35.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 HD21 ' A' ' 49' ' ' LEU . 6.5 t -57.32 -57.4 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -55.32 -37.57 67.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.63 -45.52 75.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.53 -12.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -87.25 -47.02 9.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -39.74 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -65.54 -51.6 58.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 14' ' ' LEU . 69.0 p -59.95 -36.52 77.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.48 12.58 66.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.46 1.1 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -134.03 147.98 51.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 0.779 . . . . 0.0 110.05 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 56.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.72 -37.07 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.742 HG23 ' HG3' ' A' ' 70' ' ' PRO . 10.2 p -75.55 -36.11 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -39.29 -31.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -107.1 -69.1 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 29' ' ' LEU . 6.9 t-20 -41.91 146.95 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -127.56 13.45 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.83 30.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 34' ' ' THR . 7.3 tp -81.46 96.4 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -40.73 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 29' ' ' LEU . 41.5 mt -52.88 -21.96 4.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.644 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 2.8 m-85 -89.59 -58.13 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -57.11 -19.14 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 30' ' ' ASN . 48.5 p -88.49 -19.15 26.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.79 62.77 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 18' ' ' THR . 65.6 mt -53.61 -40.02 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 0.74 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD11 ' N ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -119.26 144.75 46.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.65 -57.55 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p 179.21 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.6 tpp -69.43 -42.48 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.28 -35.61 55.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 111.054 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.794 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -60.58 -37.83 82.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.375 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.71 -37.68 80.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 11.9 tt0 -71.9 -55.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.35 -31.95 10.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.09 -34.32 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -61.19 -39.68 91.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.46 -26.67 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD21 HG22 ' A' ' 10' ' ' VAL . 10.1 mt -82.61 -10.2 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -110.35 14.18 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -59.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.5 mm100 -83.02 -23.29 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.81 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.3 m-85 -121.01 -7.05 9.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.23 45.0 2.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.841 HG23 ' CB ' ' A' ' 80' ' ' ALA . 0.8 OUTLIER -80.03 164.51 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -134.57 113.65 11.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -131.71 150.78 77.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.93 -172.4 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.48 1.779 . . . . 0.0 111.06 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.523 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . 96.8 t -157.27 -44.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.31 -33.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 59' ' ' VAL . 2.8 tt0 178.57 60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -66.71 -171.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.62 91.17 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.644 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 22.5 mtp180 -51.82 -28.17 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' CE ' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.16 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 7.9 tt0 -88.84 -24.42 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 33.5 m95 -107.02 20.43 19.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -96.86 -32.77 11.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.613 1.196 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -115.68 162.04 27.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.354 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.742 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -75.0 -36.73 2.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.66 -55.39 20.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 4.0 mttp -50.38 -35.96 30.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 20.0 mt -77.39 -52.17 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 HD11 ' HG ' ' A' ' 11' ' ' LEU . 3.6 mt -49.02 -26.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -77.58 -39.16 46.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -68.62 -9.02 47.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.758 HG11 HG21 ' A' ' 10' ' ' VAL . 48.9 t -94.12 -40.84 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.65 -10.43 43.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' ALA . 11.7 tt0 -103.64 16.45 26.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -118.83 -42.04 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.46 82.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 pm0 -141.41 14.15 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.79 -14.25 37.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -91.81 -44.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -40.47 94.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 13.0 t-20 -65.99 -59.45 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.5 12.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.722 ' CG2' HG21 ' A' ' 77' ' ' VAL . 9.2 t -50.11 -50.7 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -64.91 -52.01 58.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -57.16 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -56.28 -19.95 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -86.52 -68.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -51.08 -33.81 27.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.88 -42.96 89.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -57.24 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 18' ' ' THR . 30.7 p -60.39 -26.69 66.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.52 10.2 79.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 m -124.21 145.21 49.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.92 26.64 2.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 6.8 t0 -86.29 -26.51 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.1 p -89.05 -17.08 8.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -8.49 56.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -119.29 -52.27 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.3 m120 -75.75 133.12 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 31.6 mt -108.9 33.64 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.49 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 12.0 tp -83.28 93.15 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -39.48 98.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.6 mt -56.57 -24.08 44.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -92.27 -55.91 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 5.3 tt0 -61.92 -14.64 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 97.7 m -93.92 -14.65 25.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.138 . . . . 0.0 110.399 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 1.28 89.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 34' ' ' THR . 45.8 mt -60.94 -44.66 96.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 0.744 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tp -117.61 172.34 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -135.24 -53.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t 177.27 -56.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -47.11 60.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.39 -49.42 6.87 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.25 -38.03 38.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.417 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.4 -21.55 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 109.365 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' LEU . 2.8 tt0 -81.02 -65.75 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.35 -43.64 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.73 -42.13 67.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -73.66 -20.97 60.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG2' ' CD1' ' A' ' 13' ' ' ILE . 1.7 tp10 -93.72 -15.05 25.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.722 HD22 ' CG2' ' A' ' 77' ' ' VAL . 11.5 mt -98.4 -11.98 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -105.89 20.8 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.42 -60.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.1 mm100 -77.25 -17.95 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.709 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -125.67 -40.24 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.48 47.05 7.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 80' ' ' ALA . 59.1 t -79.43 145.35 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.64 43.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -66.57 157.21 83.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.72 4.38 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.6 t -147.93 -46.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -37.38 -58.0 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -147.67 47.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE2' HG21 ' A' ' 42' ' ' THR . 6.6 p90 -43.88 147.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.34 83.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -47.5 -32.77 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -33.56 72.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 tt0 -84.87 -26.35 27.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.631 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 43.6 m95 -102.48 18.95 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -96.88 -31.42 12.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.34 161.01 30.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.721 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.2 Cg_endo -74.97 -38.01 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.5 m-20 -64.51 -57.8 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.45 -30.5 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 29.9 mt -81.45 -50.0 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.52 -23.17 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.29 -28.32 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -74.5 -21.93 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.722 HG21 ' CG2' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -81.38 -39.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -77.34 -24.79 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.56 20.17 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -123.79 -47.06 1.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.426 HE21 ' N ' ' A' ' 81' ' ' GLN . 9.8 mm-40 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.89 25.41 11.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 76.73 -46.29 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -7.91 17.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -96.37 -44.9 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -32.2 68.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.93 -54.98 5.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -50.75 -42.79 46.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' CE2' ' A' ' 53' ' ' PHE . 3.0 t -60.98 -50.03 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.33 -36.68 84.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -68.76 -36.53 78.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 9' ' ' GLY . 2.2 mt -78.9 -11.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD12 HG21 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -85.15 -56.4 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -57.18 -38.13 73.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -37.03 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -57.61 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.886 ' HB ' HD22 ' A' ' 36' ' ' LEU . 20.0 p -69.22 -39.0 78.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.04 62.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -129.8 157.0 43.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.93 36.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 3.6 t0 -94.88 -40.43 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 HD12 ' A' ' 14' ' ' LEU . 10.6 p -81.49 -12.73 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -74.31 -22.4 59.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.43 -67.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -58.58 136.22 57.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 8.7 mt -111.33 33.35 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.03 31.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 tp -84.76 95.09 8.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 34' ' ' THR . 13.4 m120 -40.12 112.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 HG21 ' A' ' 23' ' ' VAL . 1.8 mt -74.59 -9.05 58.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CZ ' ' HD3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -109.34 -45.8 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -13.57 62.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 52.4 m -99.46 -13.17 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.77 9.64 86.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' A' ' 18' ' ' THR . 42.4 mt -66.22 -32.95 74.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.29 172.65 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.24 -57.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t 172.75 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -19.86 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.12 -44.92 43.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -32.91 67.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.3 tt0 -66.78 -56.31 11.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -44.56 -47.09 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.853 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.8 mt -56.93 -39.17 73.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -56.67 -41.45 77.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CA ' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -77.92 -26.94 49.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 HD11 ' A' ' 45' ' ' LEU . 9.6 mt -82.9 -8.28 59.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.43 12.75 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.25 -59.84 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.4 mm100 -75.38 -21.99 57.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.685 ' CD1' HD23 ' A' ' 49' ' ' LEU . 1.9 m-85 -121.55 -39.97 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.63 45.61 9.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG13 ' HB1' ' A' ' 80' ' ' ALA . 45.3 t -79.76 143.71 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.01 33.61 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.853 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -46.91 139.77 6.58 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.91 25.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.82 -13.24 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.82 -72.38 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.152 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.89 58.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 64' ' ' ARG . 44.9 p90 -69.45 -168.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.88 105.5 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -59.95 -24.58 64.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -33.52 65.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 15.5 tt0 -79.88 -27.19 40.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 7.8 m95 -104.79 19.02 21.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 108.049 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -88.62 -31.83 18.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 1.7 p -122.92 167.42 14.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.584 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.4 Cg_endo -74.99 -39.76 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.1 m-20 -62.26 -61.41 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 3.5 mttp -43.86 -33.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.369 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 3.2 mt -78.55 -51.36 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.613 HG13 HG11 ' A' ' 10' ' ' VAL . 1.5 mt -49.24 -25.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.3 -33.91 19.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 23.9 tptt -72.6 -31.61 65.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.444 HG22 HD13 ' A' ' 49' ' ' LEU . 72.6 t -69.88 -36.23 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' OE1' ' HB2' ' A' ' 2' ' ' ALA . 2.8 mm-40 -83.68 -30.72 26.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.244 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -89.69 20.27 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.913 ' HB1' HG13 ' A' ' 55' ' ' VAL . . . -118.58 -39.76 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 77' ' ' VAL . 7.2 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.67 116.72 12.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -98.99 -15.89 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.6 -9.77 58.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.8 mt -92.89 -51.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -36.1 79.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -74.06 -57.97 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.58 32.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.757 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.7 t -49.2 -40.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.8 tp -75.13 -51.77 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.48 -36.83 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -24.32 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 mt -79.69 -57.32 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB1' ' HA ' ' A' ' 21' ' ' ASP . . . -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -76.77 -38.41 54.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.33 -53.47 56.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.892 ' HB ' HD22 ' A' ' 36' ' ' LEU . 38.3 p -59.03 -46.57 87.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 110.427 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.26 -7.27 12.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t -147.11 159.53 43.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.552 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -85.18 58.15 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -90.13 -48.78 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 29' ' ' LEU . 23.1 m -78.23 -8.32 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -65.89 -40.2 91.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -44.18 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -80.94 128.95 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 43.9 mt -109.08 39.06 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.63 33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.801 ' HB3' HG12 ' A' ' 23' ' ' VAL . 43.7 tp -93.38 99.91 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 34' ' ' THR . 6.2 m120 -39.41 117.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 68' ' ' ASP . 1.6 mt -77.96 -8.08 57.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -113.58 -43.82 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -14.35 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 88.4 m -95.31 -14.68 23.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.0 -6.24 67.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.892 HD22 ' HB ' ' A' ' 18' ' ' THR . 69.4 mt -54.05 -44.87 71.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.91 HD11 HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.66 167.29 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.078 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -136.65 -47.38 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.56 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 mtp -50.26 -27.88 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.764 ' HA3' HD21 ' A' ' 37' ' ' LEU . . . -64.18 -52.54 43.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -31.69 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.76 -56.81 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LEU . 16.5 tt0 -56.51 -55.07 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -45.79 -39.66 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 57' ' ' ALA . 4.4 mt -62.03 -41.56 98.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -54.37 -41.55 69.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.14 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD21 HG22 ' A' ' 77' ' ' VAL . 3.3 tp -85.07 -7.57 59.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -115.67 16.21 16.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -126.53 -54.63 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -83.84 -22.22 31.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.757 ' CE2' HG23 ' A' ' 10' ' ' VAL . 2.7 m-85 -118.26 -46.09 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.13 46.61 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 57' ' ' ALA . 99.2 t -78.95 146.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.55 31.33 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.793 ' H ' HG12 ' A' ' 55' ' ' VAL . . . -57.0 146.89 57.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 109.32 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.97 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' A' ' 60' ' ' SER . 95.4 t -149.07 -42.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.52 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.1 p -29.02 -70.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.41 68.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 59' ' ' VAL . 1.1 p90 -76.7 -168.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 82.51 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -46.76 -29.1 1.75 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -58.78 -33.55 70.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 7.5 tt0 -78.5 -20.11 51.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 18.2 m95 -108.76 9.26 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -81.33 -34.87 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 23.7 p -118.32 162.71 28.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.458 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 69' ' ' THR . 18.4 Cg_endo -75.0 -37.33 2.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 27' ' ' LEU . 1.2 p-10 -61.05 -53.7 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HB2' ' OG1' ' A' ' 69' ' ' THR . 7.1 mttp -53.7 -34.14 57.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 42.5 mt -76.95 -52.9 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mt -47.33 -25.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.18 -41.17 25.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . 8.6 mmtt -60.0 -37.32 79.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.615 HG22 HD21 ' A' ' 49' ' ' LEU . 86.4 t -71.93 -37.27 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -75.27 -28.69 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -92.24 23.65 3.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.44 -46.82 2.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.42 HE21 ' N ' ' A' ' 81' ' ' GLN . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.12 119.07 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.71 -12.38 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.22 -12.76 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.395 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' CE2' ' A' ' 53' ' ' PHE . 4.3 mt -90.34 -56.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -55.11 -34.75 63.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -77.71 -53.36 7.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.96 -45.54 71.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.579 HG11 ' CG1' ' A' ' 74' ' ' ILE . 4.4 t -56.3 -47.09 81.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.6 tp -69.1 -46.57 67.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -44.73 79.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.86 -17.43 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -79.86 -60.1 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.76 -33.97 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.83 -44.12 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -54.23 -49.47 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.805 ' HB ' HD22 ' A' ' 36' ' ' LEU . 19.7 p -67.81 -48.48 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.92 10.54 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 175.34 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.39 62.76 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -43.62 10.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.99 HG21 HD12 ' A' ' 14' ' ' LEU . 19.1 m -89.59 -31.28 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' VAL . 2.3 tmtt? -38.89 -30.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 23' ' ' VAL . 1.4 ptpt -90.18 -93.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -52.47 129.19 28.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 3.7 mt -99.17 34.53 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.28 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.079 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 23' ' ' VAL . 25.6 tp -81.29 95.77 7.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -38.93 104.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 23' ' ' VAL . 2.7 mt -67.22 -9.69 42.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.066 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -103.32 -57.12 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.14 -14.91 54.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 59.5 m -95.65 -14.92 23.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.24 -6.04 61.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.805 HD22 ' HB ' ' A' ' 18' ' ' THR . 70.9 mt -47.76 -43.82 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 17' ' ' LEU . 5.3 mt -114.15 164.95 13.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.62 -63.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -178.47 -50.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -28.56 65.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 37' ' ' LEU . . . -64.46 -50.51 58.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.77 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -51.22 -35.22 35.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 110.397 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.68 -55.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' LEU . 8.8 tt0 -63.12 -49.1 75.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -49.29 -30.33 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.14 -34.67 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -62.03 -39.97 94.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.81 -29.65 58.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 55' ' ' VAL . 12.0 mt -82.84 -8.24 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -112.92 16.08 19.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.97 -58.38 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.427 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 11.0 mm100 -80.97 -24.06 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 55' ' ' VAL . 2.3 m-85 -117.05 -29.66 5.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.24 42.79 94.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 53' ' ' PHE . 60.7 t -71.69 143.74 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.58 40.67 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' HZ2' ' A' ' 67' ' ' TRP . . . -65.7 162.99 38.75 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 18.1 Cg_endo -75.02 163.03 36.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.388 1.731 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' SER . 13.2 t -130.14 -45.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -38.34 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.14 45.69 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 42' ' ' THR . 5.6 p90 -42.45 159.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' GLU . 31.0 t0 -72.68 82.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -47.46 -37.07 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -32.63 70.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' ASP . 16.9 tt0 -83.45 -27.53 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 33.6 m95 -101.78 17.74 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -94.23 -33.25 13.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.25 160.13 32.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.82 3.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.444 1.76 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 2.2 m-20 -67.2 -57.61 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.4 mtmm -49.34 -30.49 7.65 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 20.8 mt -80.54 -51.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.579 ' CG1' HG11 ' A' ' 10' ' ' VAL . 4.7 mt -49.72 -27.49 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.76 -37.76 24.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 25.9 tptt -63.95 -21.15 66.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.521 HG21 ' CG2' ' A' ' 10' ' ' VAL . 96.8 t -78.74 -43.61 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.33 -25.81 58.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -91.37 21.55 4.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.163 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.581 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -152.91 24.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER 164.96 178.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 6.3 tt0 88.09 -18.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.98 -8.14 54.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 53' ' ' PHE . 2.5 mt -94.82 -50.58 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.65 -36.28 80.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.0 -57.94 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.7 -49.72 27.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.7 t -53.18 -50.4 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -64.63 -48.16 75.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.11 -55.69 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -56.78 -19.77 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -82.33 -62.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.6 -29.65 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -38.4 57.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -67.09 -51.16 57.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.937 ' HB ' HD22 ' A' ' 36' ' ' LEU . 24.5 p -64.92 -37.7 88.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.08 19.09 40.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . 1.2 m -161.21 161.57 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' CA ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -78.21 0.02 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -38.0 -49.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 36' ' ' LEU . 33.9 m -86.43 -34.8 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -40.16 -32.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -99.49 -80.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.63 154.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -129.12 10.49 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.84 28.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' LEU . 24.5 tp -79.3 97.03 6.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' THR . 18.0 m120 -40.69 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 14' ' ' LEU . 6.9 mt -55.29 -20.83 12.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 64' ' ' ARG . 45.6 m-85 -93.33 -53.04 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -70.45 -7.91 46.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 96.9 m -100.02 -14.13 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.39 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.62 21.29 78.9 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.937 HD22 ' HB ' ' A' ' 18' ' ' THR . 96.4 mt -80.38 -30.69 37.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' HA3' ' A' ' 41' ' ' GLY . 4.6 tp -133.41 165.66 24.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.22 -52.89 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t 178.01 -66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -25.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -63.11 -53.48 39.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.23 -38.25 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.67 -31.36 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' LEU . 14.3 tt0 -71.67 -68.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -41.17 -47.23 3.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.056 HD21 ' HB3' ' A' ' 57' ' ' ALA . 1.4 mt -49.91 -46.42 51.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -66.93 -22.63 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.1 tp10 -92.01 -18.1 24.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD22 ' CG2' ' A' ' 77' ' ' VAL . 52.5 mt -93.46 -17.01 23.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -102.9 18.07 22.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.54 -60.51 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.5 mm100 -82.29 -22.88 35.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -123.31 -4.24 8.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 36.39 49.77 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 80' ' ' ALA . 2.5 p -80.94 161.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.98 97.63 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.056 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -121.95 135.26 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 57' ' ' ALA . 18.4 Cg_endo -74.92 150.19 38.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.06 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 46' ' ' LEU . 15.5 t -114.47 -21.78 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 p -39.23 -41.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.04 58.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.7 OUTLIER -54.7 168.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.01 95.01 9.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' ASP . 43.6 mtp180 -46.67 -24.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.43 -34.4 76.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 31.7 tt0 -86.44 -25.14 25.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 76' ' ' LYS . 36.6 m95 -109.14 27.72 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 108.012 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.529 ' OD2' HG23 ' A' ' 69' ' ' THR . 0.2 OUTLIER -99.14 -40.06 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.529 HG23 ' OD2' ' A' ' 68' ' ' ASP . 4.6 p -113.68 161.65 26.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.635 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.07 -22.55 14.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.464 1.77 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 4.3 t30 -75.5 -53.87 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -54.49 -33.35 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.382 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 48.3 mt -77.99 -51.36 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.566 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.8 mt -49.63 -24.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.0 -35.34 25.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.4 tptt -67.11 -32.29 73.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 99.1 t -79.59 -28.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -82.35 -27.06 32.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -90.77 21.88 3.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -120.74 -47.37 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.961 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 64.98 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' ASN . 10.5 tt0 -146.29 17.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.54 -16.62 34.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 53' ' ' PHE . 11.8 mt -90.71 -51.51 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -33.9 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 9.6 t-20 -77.85 -57.74 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.32 56.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.822 ' O ' HD13 ' A' ' 14' ' ' LEU . 2.7 t -55.05 -44.0 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.5 tp -71.95 -47.42 52.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -58.04 -34.88 70.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -81.17 -26.47 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.822 HD13 ' O ' ' A' ' 10' ' ' VAL . 4.8 mp -77.93 -53.26 7.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 24' ' ' LYS . . . -59.96 -27.19 66.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.55 -41.73 31.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -46.7 80.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 36' ' ' LEU . 71.6 p -67.07 -43.29 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.138 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.11 -0.64 33.41 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.137 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.88 161.04 42.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.71 60.0 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 1.2 t0 -99.3 -44.47 6.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.839 HG12 HD23 ' A' ' 29' ' ' LEU . 11.0 m -82.29 -16.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -61.09 -24.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -72.27 0.7 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.86 137.72 54.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.08 32.98 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.44 31.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD23 HG12 ' A' ' 23' ' ' VAL . 8.6 tp -91.59 102.68 15.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' LEU . 7.3 m120 -38.33 127.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.1 mt -88.53 -18.49 28.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CG ' ' NH1' ' A' ' 64' ' ' ARG . 9.7 m-85 -107.95 -43.84 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.13 -14.99 63.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 97.3 m -93.35 -15.99 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.43 -3.2 63.81 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 18' ' ' THR . 98.7 mt -40.32 -40.44 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.351 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.07 -176.04 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.567 ' O ' ' N ' ' A' ' 40' ' ' MET . 4.7 m-20 -166.17 120.75 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 46.92 -87.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.048 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.567 ' N ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -34.1 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -52.43 -77.66 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.575 1.172 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.72 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -45.18 -25.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.383 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' N ' ' C ' ' A' ' 41' ' ' GLY . 2.8 t -75.29 -55.95 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.4 tt0 -61.71 -50.74 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -51.1 -33.15 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.354 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.4 mt -74.24 -29.26 61.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -69.18 -37.26 78.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -23.55 38.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 45' ' ' LEU . 9.8 mt -86.12 -10.34 55.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.212 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -114.04 15.74 18.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -56.21 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.7 mm100 -89.86 -20.78 23.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -121.23 -6.71 9.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.54 37.36 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.904 HG23 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -64.76 165.0 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -135.91 109.01 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -129.68 161.34 59.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.99 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.428 1.752 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLU . 2.8 t -150.48 -45.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' VAL . 12.3 p -36.83 -33.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' VAL . 4.0 tt0 175.75 63.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -64.47 179.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 91.59 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NH1' ' CG ' ' A' ' 32' ' ' PHE . 8.3 mtp85 -50.52 -37.78 40.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.26 -32.79 66.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 24.4 tt0 -83.68 -26.86 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 43.2 m95 -106.62 25.19 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -104.49 -28.75 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -117.53 160.12 39.29 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HB3' HD23 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -33.52 4.53 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -67.57 -55.52 13.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -52.01 -35.24 46.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD13 HD21 ' A' ' 45' ' ' LEU . 47.7 mt -77.88 -53.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.563 ' CG1' HG11 ' A' ' 10' ' ' VAL . 2.4 mt -48.12 -28.52 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' GLN . . . -76.83 -39.02 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 5.0 tptp -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG11 HG21 ' A' ' 10' ' ' VAL . 17.4 t -81.59 -38.09 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.49 -24.16 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' ALA . 49.4 mt-30 -93.88 21.07 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.615 1.197 . . . . 0.0 110.227 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.904 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -122.17 -46.54 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.53 131.93 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -91.71 -17.65 25.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.43 -9.13 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.3 mt -93.33 -47.3 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.48 78.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.34 -57.03 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.76 -43.54 22.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.634 HG23 ' CE2' ' A' ' 53' ' ' PHE . 2.6 t -57.47 -51.67 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 23' ' ' VAL . 6.5 tp -64.02 -46.61 83.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.99 -42.75 76.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.209 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.37 -23.68 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.31 -56.14 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.64 59.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -31.12 50.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 45' ' ' LEU . 2.5 mt -61.86 -44.75 96.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.5 p -78.44 -55.35 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 -6.51 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.0 167.13 15.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 29.04 3.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -79.75 -45.52 18.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.369 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 HD21 ' A' ' 31' ' ' LEU . 8.2 p -77.51 -1.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -90.52 -29.52 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -97.72 -45.92 6.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 1.1 t30 -81.33 138.11 35.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 5.3 mt -115.9 32.83 5.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.44 32.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 25.9 tp -93.22 101.89 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' LEU . 6.3 m120 -37.91 118.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 23' ' ' VAL . 3.3 mt -80.94 3.5 22.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CZ ' ' NE ' ' A' ' 64' ' ' ARG . 23.5 m-85 -128.39 -44.72 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -96.44 -12.79 23.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.28 52.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.438 1.086 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.26 -33.86 23.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.559 0.799 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -124.01 175.88 6.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.241 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.54 -67.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -171.51 -56.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.48 -24.63 60.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -57.3 -52.55 50.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.557 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -48.69 -37.6 19.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.5 -27.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.201 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' LEU . 4.8 tt0 -74.91 -66.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -42.28 -47.86 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 46' ' ' LEU . 8.7 mt -49.23 -43.8 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -70.97 -24.7 62.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.7 -14.08 35.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 45' ' ' LEU . 19.7 mt -99.02 -15.03 19.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -104.91 18.05 23.04 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.29 -59.11 1.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -82.3 -25.97 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HG23 ' A' ' 10' ' ' VAL . 1.5 m-85 -119.37 -10.14 9.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 43.79 48.3 7.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.598 1.186 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.855 HG23 ' CB ' ' A' ' 80' ' ' ALA . 3.9 p -72.95 163.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.69 28.82 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.606 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -43.58 156.17 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' C ' ' CG2' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 -179.37 4.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.425 1.75 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 58' ' ' PRO . 5.6 t -151.9 -45.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' VAL . 11.7 p -37.83 -59.97 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 70.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' HB2' ' CD1' ' A' ' 67' ' ' TRP . 15.3 p90 -65.76 177.11 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -92.21 97.6 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' NE ' ' CZ ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -48.26 -33.37 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -63.24 -33.68 76.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ASP . 40.1 tt0 -81.48 -29.66 33.6 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.606 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 78.3 m95 -103.89 25.61 9.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -106.4 -33.54 7.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.35 159.75 30.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -74.99 -36.12 2.75 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -65.99 -57.29 8.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -50.34 -35.14 26.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 34.3 mt -77.97 -49.86 20.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 10' ' ' VAL . 2.1 mt -51.38 -30.62 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.93 -28.31 49.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -76.88 -14.58 59.87 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.571 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 87.4 t -93.69 -23.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.33 -28.05 17.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -90.58 19.6 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.855 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -116.07 -41.22 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -71.97 165.33 24.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 89.48 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.246 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.92 -9.01 41.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.1 mt -94.39 -58.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' O ' HG12 ' A' ' 10' ' ' VAL . 5.3 tttt -53.11 -35.79 60.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 5.1 t-20 -67.59 -57.79 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.14 -43.7 95.16 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.515 1.134 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.651 HG11 HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -56.51 -28.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 11' ' ' LEU . 7.1 tp -85.85 -46.59 10.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.75 -31.43 66.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.73 -19.61 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.3 mm? -85.8 -53.02 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -69.05 -36.19 77.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -63.81 -58.52 6.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.706 ' HB ' HD13 ' A' ' 36' ' ' LEU . 30.9 p -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.67 66.74 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.0 m -147.89 150.9 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.89 49.5 1.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.611 ' O ' HD22 ' A' ' 29' ' ' LEU . 19.6 t0 -91.32 -33.65 15.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 HD23 ' A' ' 29' ' ' LEU . 5.1 m -92.24 -26.4 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.43 -23.96 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -104.64 -81.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.26 128.35 24.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -93.94 -4.54 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 41.05 3.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.795 HD23 HG12 ' A' ' 23' ' ' VAL . 45.9 tp -93.57 100.72 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.4 m120 -38.68 126.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 68' ' ' ASP . 2.1 mt -88.49 -15.78 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' CD2' ' NH2' ' A' ' 64' ' ' ARG . 63.7 m-85 -111.04 -33.22 6.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -12.38 59.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.9 m -98.3 -12.78 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.59 14.97 81.93 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.9 mt -79.76 -29.15 40.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -118.01 160.8 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.704 ' H ' HD13 ' A' ' 37' ' ' LEU . 9.4 t0 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER 163.04 -52.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -23.91 56.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.98 37.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.473 ' H ' HD11 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -50.94 -43.87 60.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.478 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.94 -54.32 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' LEU . 9.3 tt0 -60.62 -53.88 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.904 HD11 HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -47.57 -35.47 9.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.94 -37.97 82.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -57.46 -38.64 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -23.95 32.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.904 HD12 HD11 ' A' ' 45' ' ' LEU . 3.8 mt -82.43 -9.37 59.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -113.34 19.3 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.7 t -127.15 -57.56 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.059 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 7.1 mm100 -84.87 -22.37 29.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 110.268 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CG ' HD23 ' A' ' 49' ' ' LEU . 1.4 m-85 -118.32 -23.18 7.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 56.74 46.71 89.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 49' ' ' LEU . 3.2 p -73.21 164.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.23 29.41 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.53 135.66 4.44 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 -175.28 2.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 58' ' ' PRO . 55.5 t -158.55 -43.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.504 ' C ' ' O ' ' A' ' 59' ' ' VAL . 34.9 p -31.42 -42.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.067 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' VAL . 3.1 tt0 173.21 84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.431 1.082 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 3.8 p90 -105.53 -169.52 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.4 103.75 15.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH2' ' CD2' ' A' ' 32' ' ' PHE . 14.8 mmm-85 -57.39 -38.51 74.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -50.94 -36.85 40.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 72' ' ' LYS . 25.9 tt0 -72.65 -23.02 60.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.598 ' CD1' ' CD1' ' A' ' 62' ' ' PHE . 35.6 m95 -108.53 20.14 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.037 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 t0 -93.41 -36.43 12.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.429 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 8.8 p -115.36 159.29 38.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.99 10.35 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.757 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 6.6 t30 -71.2 -46.93 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.3 mtmt -62.18 -31.66 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 66.8 mt -81.18 -47.4 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.651 HG12 HG11 ' A' ' 10' ' ' VAL . 17.7 mt -51.07 -34.7 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.99 -26.33 60.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 19.0 tptt -78.9 -29.98 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 73' ' ' ILE . 20.6 t -80.08 -24.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -83.72 -32.75 25.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.3 23.04 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.96 -47.96 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -85.35 179.6 7.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -18.89 47.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.25 -8.8 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.594 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.7 mt -95.55 -58.13 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.12 -31.89 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.05 -55.1 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.29 -33.69 81.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.053 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.935 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.36 -29.78 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 11' ' ' LEU . 6.2 tp -85.44 -39.45 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.43 -24.78 67.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -91.08 -18.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 10' ' ' VAL . 1.5 mm? -83.24 -49.78 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.46 -28.73 63.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.81 HD13 ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -63.37 -54.22 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.659 HG21 HD23 ' A' ' 36' ' ' LEU . 7.2 p -76.91 -33.54 57.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.9 -6.61 60.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.67 159.21 31.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.043 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.5 49.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.365 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.68 -28.73 12.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.849 HG23 ' HG3' ' A' ' 70' ' ' PRO . 3.4 p -87.63 -21.61 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 8.1 tmtt? -65.39 -21.45 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -106.74 -46.59 3.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' CD ' ' A' ' 25' ' ' LYS . 29.6 m-20 -72.81 147.62 45.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 12.6 mt -125.82 25.96 6.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.83 30.22 0.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ASN . 10.0 tp -93.2 102.28 14.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -38.68 129.34 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 68' ' ' ASP . 1.3 mt -97.23 7.0 47.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.11 -49.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' CB ' ' OD1' ' A' ' 30' ' ' ASN . 17.8 tt0 -68.23 -14.66 63.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.801 ' HB ' HD13 ' A' ' 36' ' ' LEU . 95.2 m -96.72 -13.79 22.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' C ' HD12 ' A' ' 36' ' ' LEU . . . 88.99 43.97 5.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD13 ' HB ' ' A' ' 34' ' ' THR . 4.5 mp -103.98 -31.56 9.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.661 HD22 ' HA3' ' A' ' 41' ' ' GLY . 10.7 mt -139.77 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -57.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.33 -57.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -52.06 -45.85 64.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.661 ' HA3' HD22 ' A' ' 37' ' ' LEU . . . -39.7 -53.23 3.04 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -47.92 -39.57 19.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' MET . 27.6 t -57.37 -28.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LEU . 6.2 tt0 -73.9 -67.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -43.02 -46.86 5.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.8 -41.48 44.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -72.58 -24.72 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp10 -89.78 -16.83 29.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 77' ' ' VAL . 14.9 mt -96.84 -12.5 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -103.66 21.52 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.38 -61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 13.1 mm100 -75.78 -16.68 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.651 ' CE1' HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -127.51 -46.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 88.58 47.28 4.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.44 1.087 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG13 ' CB ' ' A' ' 80' ' ' ALA . 59.5 t -81.23 144.54 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.61 59.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' CZ2' ' A' ' 67' ' ' TRP . . . -81.37 150.28 67.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.66 38.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.32 5.03 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.14 73.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' PHE . 51.5 tt0 68.48 46.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CZ ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -52.49 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 111.035 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' OD1' ' NE1' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -90.95 82.19 5.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -45.58 -45.14 13.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -53.64 -32.55 51.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' ASP . 31.6 tt0 -82.44 -28.09 31.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 57' ' ' ALA . 63.8 m95 -101.73 20.91 15.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.804 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -101.89 -36.94 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.04 157.4 34.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.849 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.03 -33.29 4.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 1.2 m-20 -67.93 -51.59 45.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 1.9 mtmm -57.41 -31.21 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 5.6 mt -81.22 -50.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.804 HG12 HG11 ' A' ' 10' ' ' VAL . 18.4 mt -52.14 -27.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.09 -27.05 33.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 67' ' ' TRP . 2.9 tptp -77.87 -24.28 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.667 HG22 HD13 ' A' ' 49' ' ' LEU . 99.1 t -82.64 -29.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -83.85 -32.22 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.17 25.17 2.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 55' ' ' VAL . . . -123.06 -45.93 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.98 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.45 154.77 39.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.353 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -17.91 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.25 -10.25 59.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 53' ' ' PHE . 1.6 mt -91.83 -48.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.24 86.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -73.05 -58.97 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -47.26 -40.56 14.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.022 HG21 HG11 ' A' ' 77' ' ' VAL . 7.8 t -63.81 -56.88 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.77 -36.88 75.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.608 1.193 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.24 -43.05 87.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 9' ' ' GLY . 1.3 mt -72.46 -18.33 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 31' ' ' LEU . 3.9 mm? -87.1 -43.84 11.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -70.9 -40.42 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.34 -21.88 64.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -74.02 -62.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.73 ' HB ' HD12 ' A' ' 36' ' ' LEU . 35.5 p -59.96 -34.14 72.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.34 11.55 66.57 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.43 1.081 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -127.17 153.67 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.07 27.19 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -80.37 -39.85 27.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.731 HG23 ' HG3' ' A' ' 70' ' ' PRO . 14.2 p -77.14 -32.28 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -56.21 -19.15 12.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.175 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -73.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.63 134.92 41.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 1.5 mp -106.98 31.43 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.6 30.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -84.12 97.02 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -40.44 118.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 14' ' ' LEU . 5.4 mt -91.6 19.26 6.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -140.65 -56.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -12.62 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 36' ' ' LEU . 26.5 m -90.3 -19.31 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.65 -4.27 63.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD12 ' HB ' ' A' ' 18' ' ' THR . 2.0 mm? -56.66 -56.58 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.713 HD11 ' HA3' ' A' ' 41' ' ' GLY . 8.3 tp -114.92 169.64 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -126.66 -55.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 t 179.98 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -24.21 1.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.713 ' HA3' HD11 ' A' ' 37' ' ' LEU . . . -67.28 -52.64 30.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.58 1.175 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 ' HA ' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -48.09 -35.84 12.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.6 t -56.64 -24.94 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.347 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LEU . 22.7 tt0 -76.48 -68.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.831 ' CD2' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -40.68 -46.92 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -50.49 -47.4 57.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -65.58 -22.32 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.28 -20.74 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.689 HD23 HG11 ' A' ' 55' ' ' VAL . 15.5 tp -90.93 -13.31 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 30.9 tt0 -106.35 16.74 24.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -125.55 -58.59 1.41 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 10.9 mm100 -82.89 -23.56 33.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.669 ' CE2' HG23 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -121.67 -7.03 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 38.16 50.8 2.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.856 HG23 ' CB ' ' A' ' 80' ' ' ALA . 5.0 p -72.62 164.32 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.71 51.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.816 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -79.24 146.68 67.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' C ' HG23 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.0 -174.11 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 46' ' ' LEU . 40.4 t -153.46 -43.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 59' ' ' VAL . 7.1 p -32.68 -49.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.49 80.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' CD1' ' A' ' 67' ' ' TRP . 2.7 p90 -90.0 -167.97 2.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.93 92.03 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -51.95 -37.1 51.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 4.0 tttt -52.65 -35.12 54.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.63 -26.79 60.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.504 ' HA ' ' CG1' ' A' ' 73' ' ' ILE . 26.8 m95 -103.23 20.19 18.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -96.76 -31.8 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -114.01 162.97 20.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.0 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.072 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 27' ' ' LEU . 2.3 m-20 -61.06 -50.14 74.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 1.5 mttp -54.51 -34.13 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.705 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.2 mt -79.07 -52.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mt -46.88 -33.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.41 71.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -10.35 59.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.022 HG11 HG21 ' A' ' 10' ' ' VAL . 98.7 t -89.75 -36.68 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.02 -26.09 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -88.02 17.16 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.856 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -109.89 -46.04 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -46.3 151.03 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -6.32 59.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.194 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.58 -12.58 60.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 10' ' ' VAL . 10.6 mt -92.02 -54.88 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -36.86 67.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.03 -54.76 8.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.7 -44.49 91.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 6' ' ' ILE . 72.9 t -57.76 -45.25 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.58 -44.22 71.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -60.56 -50.77 72.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.78 -21.31 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 17' ' ' LEU . 17.1 mt -84.15 -66.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 23' ' ' VAL . . . -43.25 -47.38 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -41.96 96.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.41 -55.63 20.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.931 ' HB ' HD22 ' A' ' 36' ' ' LEU . 25.9 p -65.33 -31.27 72.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.67 18.67 40.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.02 178.9 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.4 28.99 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -62.54 -40.93 98.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG23 ' HG3' ' A' ' 70' ' ' PRO . 9.2 p -92.01 -13.89 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -6.19 31.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 -80.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' ND2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -62.72 137.45 58.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 3.3 mt -112.84 35.38 3.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.57 31.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 36' ' ' LEU . 31.5 tp -89.16 96.15 10.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.5 OUTLIER -39.94 97.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -58.73 -20.59 50.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.71 -58.34 2.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.5 -12.25 42.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' ASN . 87.0 m -97.38 -14.49 21.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 -8.0 61.51 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.931 HD22 ' HB ' ' A' ' 18' ' ' THR . 58.2 mt -43.81 -45.0 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -106.35 165.17 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.703 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -123.52 -56.15 1.71 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.953 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -38.1 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.99 46.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.622 ' H ' HD21 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -49.58 -54.73 16.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.441 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . 51.1 t -47.42 -63.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' LEU . 24.7 tt0 -44.62 -61.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -48.11 -46.51 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.023 HD13 ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -61.38 -28.29 69.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -68.33 -38.9 82.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -25.9 54.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mt -82.27 -20.79 36.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -104.48 14.22 30.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -117.9 -57.22 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -85.84 -30.91 22.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 10' ' ' VAL . 1.7 m-30 -113.49 -4.21 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 39.53 38.1 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.976 HG22 ' CB ' ' A' ' 80' ' ' ALA . 2.6 t -59.42 158.39 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 8.7 m-20 -94.56 51.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 1.023 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -69.57 113.54 17.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.55 42.19 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 t -128.33 4.13 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.5 72.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 62.94 45.34 5.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.04 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.3 85.08 3.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -50.08 -28.54 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -59.68 -33.95 72.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.08 -29.23 43.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 76' ' ' LYS . 19.1 m95 -99.14 11.96 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.779 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -86.35 -32.72 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.98 160.55 40.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.881 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.3 Cg_endo -75.06 -40.37 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -60.09 -50.57 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 65' ' ' LYS . 2.1 mtmm -58.12 -31.32 67.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 67' ' ' TRP . 18.5 mt -78.94 -46.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.49 -30.49 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.46 -20.11 54.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 6.0 tptp -78.97 -33.68 44.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.595 ' CG1' ' CD2' ' A' ' 53' ' ' PHE . 39.4 t -77.2 -32.5 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -79.3 -30.81 43.09 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -93.61 24.13 4.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.976 ' CB ' HG22 ' A' ' 55' ' ' VAL . . . -121.02 -42.55 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.946 . . . . . . . . 0 0 . 1 stop_ save_