data_1wgg_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 1wgg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 26' ' ' THR . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' CG ' ' A' ' 71' ' ' MET . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.563 HG21 ' CE1' ' A' ' 8' ' ' TYR . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 1.4 tt0 -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.582 ' CH2' HD13 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.575 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.2 p30 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.485 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.455 ' CE ' HG21 ' A' ' 41' ' ' THR . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 26' ' ' THR . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.489 HG11 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG23 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.571 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 12' ' ' VAL . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.624 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.571 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.565 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CH2' HD11 ' A' ' 24' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.471 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.478 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' HG22 ' A' ' 26' ' ' THR . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' CG ' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 HG22 ' CE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.446 HG22 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.605 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.3 p30 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.485 ' CG ' HG13 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.446 ' CE ' HG22 ' A' ' 41' ' ' THR . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.515 HG12 ' CG ' ' A' ' 71' ' ' MET . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.572 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.429 ' NE2' HG13 ' A' ' 22' ' ' VAL . 46.8 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 24' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.594 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.1 p30 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.515 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' CG1' HG12 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.568 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 23' ' ' GLU . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.5 tt0 -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.513 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.58 ' CH2' HD12 ' A' ' 24' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 66' ' ' LYS . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' N ' HG21 ' A' ' 65' ' ' ILE . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.528 HG12 ' CG ' ' A' ' 71' ' ' MET . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' HG11 ' A' ' 12' ' ' VAL . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' CH2' ' A' ' 62' ' ' TRP . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.47 HG22 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.599 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 66' ' ' LYS . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.599 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.528 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' HG22 ' A' ' 41' ' ' THR . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' LEU . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 71' ' ' MET . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' NE2' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' HG12 ' A' ' 22' ' ' VAL . 52.1 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' CE ' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB3' ' CE ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 66' ' ' LYS . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 65' ' ' ILE . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.484 ' CG ' HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.407 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 26' ' ' THR . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 8' ' ' TYR . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.552 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.672 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.672 ' CZ3' ' CD2' ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.453 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.47 ' CG ' HG11 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 7' ' ' GLY . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 23' ' ' GLU . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 22' ' ' VAL . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HG2' ' CA ' ' A' ' 59' ' ' ASP . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.561 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.588 ' CH2' HD11 ' A' ' 24' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.499 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.475 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 71' ' ' MET . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 19' ' ' PHE . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.493 ' CD1' ' HE3' ' A' ' 75' ' ' MET . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 34' ' ' LYS . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.576 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.592 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.498 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.493 ' HE3' ' CD1' ' A' ' 14' ' ' TRP . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 26' ' ' THR . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.479 HG13 ' CG ' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 8' ' ' TYR . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.6 tt0 -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 73' ' ' VAL . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CH2' HD11 ' A' ' 24' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.418 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.479 ' CG ' HG13 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.483 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD2' HG11 ' A' ' 12' ' ' VAL . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 33' ' ' PHE . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' HG22 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.479 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.571 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.6 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 66' ' ' LYS . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG21 ' A' ' 65' ' ' ILE . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.482 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 74' ' ' LEU . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 26' ' ' THR . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 19' ' ' PHE . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CD2' HG13 ' A' ' 12' ' ' VAL . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 23' ' ' GLU . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 22' ' ' VAL . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CD1' HD12 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 HD13 ' CD2' ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 43' ' ' VAL . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.452 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.491 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.476 ' CG ' HG11 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' LEU . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' CG ' ' A' ' 71' ' ' MET . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.569 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 38' ' ' PHE . 2.1 tt0 -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.569 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 66' ' ' LYS . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.52 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' CG1' HG11 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' CG ' ' A' ' 71' ' ' MET . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.573 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.518 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 HG21 ' NZ ' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CH2' HD12 ' A' ' 24' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.511 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.524 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.456 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG13 ' CG ' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' HG13 ' A' ' 22' ' ' VAL . 49.2 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 12' ' ' VAL . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.521 ' CG2' ' CE ' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.593 ' CH2' HD12 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.2 p30 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.493 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.42 ' SD ' ' OE1' ' A' ' 48' ' ' GLN . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' HG23 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 9' ' ' SER . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 23' ' ' GLU . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HG22 ' A' ' 12' ' ' VAL . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 37' ' ' LEU . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.497 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.653 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CZ3' ' CD2' ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.453 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CD1' HG23 ' A' ' 26' ' ' THR . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.615 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 8' ' ' TYR . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.465 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.577 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.573 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 66' ' ' LYS . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 65' ' ' ILE . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.5 p30 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.568 ' HE1' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG11 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.637 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.421 ' NE2' HG11 ' A' ' 22' ' ' VAL . 44.4 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.575 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.494 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.603 ' CH2' HD11 ' A' ' 24' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 66' ' ' LYS . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 65' ' ' ILE . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.565 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.3 p30 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.483 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 9' ' ' SER . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.628 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HG2' ' CA ' ' A' ' 59' ' ' ASP . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 58' ' ' LYS . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.425 ' HG1' ' N ' ' A' ' 42' ' ' GLY . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HE1' ' A' ' 67' ' ' MET . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.568 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.1 p30 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 158.7 44.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.95 153.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 151.39 10.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.65 95.25 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.54 82.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.34 124.64 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 26' ' ' THR . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' CG ' ' A' ' 71' ' ' MET . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.563 HG21 ' CE1' ' A' ' 8' ' ' TYR . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.588 ' CD1' HD11 ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 1.4 tt0 -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.582 ' CH2' HD13 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.575 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.2 p30 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.485 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.455 ' CE ' HG21 ' A' ' 41' ' ' THR . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.99 90.09 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.71 119.86 18.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.47 159.91 10.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 149.29 97.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 77.41 3.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.72 153.84 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -46.67 141.97 5.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.19 20.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.39 1.731 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m -137.19 88.58 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.25 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.15 163.48 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.9 m 66.41 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 159.49 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.88 163.19 22.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t 75.42 -59.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.44 115.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.51 122.14 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -173.5 139.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.56 117.03 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.96 -68.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -71.82 -44.51 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.02 115.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 6' ' ' SER . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG11 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG23 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.571 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 12' ' ' VAL . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.624 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.565 HG21 ' CE1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.502 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 40' ' ' LEU . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.571 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CH2' HD11 ' A' ' 24' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.471 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG11 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.478 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.66 105.91 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -86.24 124.88 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -178.5 175.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.31 155.61 9.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.35 127.62 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.89 91.97 31.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.9 42.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.08 166.1 25.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.49 -59.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -156.97 144.95 19.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -177.18 158.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.73 136.69 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -53.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.762 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.74 129.53 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.5 t -159.45 119.83 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.55 144.22 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.27 168.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -118.36 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.39 171.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.27 75.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 137.83 10.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' CE1' HG22 ' A' ' 26' ' ' THR . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG13 ' CG ' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 HG22 ' CE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.446 HG22 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.605 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.3 p30 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.485 ' CG ' HG13 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.446 ' CE ' HG22 ' A' ' 41' ' ' THR . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.97 70.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -71.02 97.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.97 158.54 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.63 112.63 9.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.96 39.04 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.2 mt-10 -78.27 -53.72 1.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.95 164.85 32.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 p -98.85 120.06 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.65 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 97.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -113.91 153.75 28.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -73.35 100.93 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.16 143.12 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.93 125.4 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -164.55 142.59 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 73.99 -69.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.023 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 157.01 22.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 140.38 8.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.1 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 2.7 m -78.46 -56.55 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.29 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 6' ' ' SER . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG12 ' CG ' ' A' ' 71' ' ' MET . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.572 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' NE2' HG13 ' A' ' 22' ' ' VAL . 46.8 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 24' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.594 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.1 p30 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.515 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' CG1' HG12 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.44 91.6 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.67 94.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.03 160.68 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.73 154.92 24.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.85 150.11 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 119.95 17.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.56 22.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.94 167.41 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -175.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -137.01 131.0 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.5 p -115.85 137.74 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.1 p -163.61 154.11 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.09 -172.29 36.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -52.95 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -174.78 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.51 107.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -58.66 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -131.06 147.86 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 -119.46 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 68.97 111.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.7 124.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.568 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CE2' HG23 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 23' ' ' GLU . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD12 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.5 tt0 -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.513 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.58 ' CH2' HD12 ' A' ' 24' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 66' ' ' LYS . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' N ' HG21 ' A' ' 65' ' ' ILE . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . -125.55 40.44 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 38.94 89.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -40.41 138.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.05 163.54 52.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.01 5.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -150.19 175.37 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -138.64 67.12 43.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 133.91 17.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.55 115.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.15 -59.98 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.5 m -128.75 76.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.2 p -158.55 168.55 26.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -162.71 97.56 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.61 151.93 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -152.21 96.59 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.57 -58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.03 124.97 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 142.87 14.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.27 94.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.16 119.78 2.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG12 ' CG ' ' A' ' 71' ' ' MET . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' HG11 ' A' ' 12' ' ' VAL . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD13 ' CH2' ' A' ' 62' ' ' TRP . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.47 HG22 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' HD11 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.599 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 66' ' ' LYS . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.599 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.528 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' HG22 ' A' ' 41' ' ' THR . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.75 96.07 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.18 156.92 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 155.98 92.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.38 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.51 48.41 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.91 140.54 37.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.15 31.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.64 121.16 39.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.88 137.28 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -172.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.2 m -43.68 145.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -46.06 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -112.75 -147.51 10.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.65 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -171.58 94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.36 78.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.42 123.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -164.58 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 111.73 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -150.17 173.45 13.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 m -66.48 -57.49 7.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.28 116.16 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 6' ' ' SER . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' A' ' 71' ' ' MET . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' NE2' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CD1' HD11 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' HG12 ' A' ' 22' ' ' VAL . 52.1 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' CE ' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB3' ' CE ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 66' ' ' LYS . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 65' ' ' ILE . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.484 ' CG ' HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.407 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.28 99.37 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -121.01 101.13 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.38 162.46 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 146.1 35.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 66.03 6.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.62 89.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -118.91 91.31 42.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.0 m 61.9 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.27 90.46 3.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -171.85 103.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -56.4 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -62.8 167.86 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.24 119.11 1.54 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -172.21 155.53 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.73 155.48 36.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m 64.35 86.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -54.24 123.65 13.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.72 -116.16 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.71 79.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.9 m -175.24 -54.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.67 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 26' ' ' THR . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG11 ' CG ' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 8' ' ' TYR . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.552 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.672 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.672 ' CZ3' ' CD2' ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.453 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.47 ' CG ' HG11 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' SER . . . -46.54 -94.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -141.34 96.16 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 61.54 171.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -46.11 111.25 1.39 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.71 86.28 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 139.28 24.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.6 61.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.97 133.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -67.89 150.52 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.81 154.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 138.05 98.03 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.09 17.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m 63.66 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 p -113.29 159.69 19.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -64.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -137.62 -61.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -132.09 9.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -142.46 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -104.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . 59.9 140.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 7' ' ' GLY . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 23' ' ' GLU . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 22' ' ' VAL . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' HG2' ' CA ' ' A' ' 59' ' ' ASP . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.561 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.588 ' CH2' HD11 ' A' ' 24' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.499 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.475 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.74 95.51 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.43 26.95 4.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 68.61 128.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -74.51 149.1 86.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.85 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 178.13 154.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.48 148.6 34.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.81 42.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.24 127.15 11.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.88 84.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -44.23 132.32 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -70.36 133.12 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m 61.47 97.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.18 -95.52 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -28.73 9.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.4 p -67.79 132.55 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.08 146.27 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.4 142.07 16.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -57.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.14 -131.02 2.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m 59.99 74.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.05 65.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 127.42 6.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 71' ' ' MET . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 19' ' ' PHE . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.493 ' CD1' ' HE3' ' A' ' 75' ' ' MET . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CD1' HD12 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.57 HG23 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 34' ' ' LYS . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.576 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.592 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.498 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.493 ' HE3' ' CD1' ' A' ' 14' ' ' TRP . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.23 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.84 102.64 12.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.01 125.17 49.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.06 126.64 20.45 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.31 29.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.4 152.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.32 92.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.61 124.63 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.98 163.59 12.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.7 m -94.21 149.17 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.1 m -129.94 167.04 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 157.36 27.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -81.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.87 -176.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -95.19 172.88 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 120.71 40.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.92 131.13 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.01 86.59 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.46 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.95 74.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.76 122.13 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 26' ' ' THR . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.479 HG13 ' CG ' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 8' ' ' TYR . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.6 tt0 -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 73' ' ' VAL . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CH2' HD11 ' A' ' 24' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.418 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.479 ' CG ' HG13 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.483 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.31 92.45 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -45.48 115.68 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.0 108.13 7.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 163.56 61.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 60.37 5.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.1 153.63 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.46 129.14 32.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.21 8.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.2 167.06 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.57 170.38 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.11 158.37 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.2 m 61.67 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.7 p -151.12 157.25 42.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.4 85.18 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.54 166.53 24.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t 61.37 120.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -120.58 -58.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.11 -57.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 114.29 4.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.28 156.29 45.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 2.7 m -67.03 -53.1 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 114.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 6' ' ' SER . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG13 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' CD2' HG11 ' A' ' 12' ' ' VAL . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 33' ' ' PHE . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' CD2' HG22 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.479 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.571 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.6 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 66' ' ' LYS . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG21 ' A' ' 65' ' ' ILE . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.482 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 74' ' ' LEU . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' HG23 ' A' ' 41' ' ' THR . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 78' ' ' SER . . . 84.59 -7.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 57.8 112.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.57 155.25 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.94 163.11 19.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 68.13 80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.52 148.84 45.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.73 14.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -41.34 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.34 172.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 172.72 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 t -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.88 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.78 -176.9 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t 64.95 135.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.8 t -122.48 144.5 49.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -130.96 162.41 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -138.25 140.23 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.54 -92.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -52.38 -72.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -87.8 -49.68 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.5 114.8 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 26' ' ' THR . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 19' ' ' PHE . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' CD2' HG13 ' A' ' 12' ' ' VAL . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 23' ' ' GLU . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 22' ' ' VAL . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.528 HG23 ' CE1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CD1' HD12 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 HD13 ' CD2' ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 43' ' ' VAL . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.452 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.491 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.496 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.476 ' CG ' HG11 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.86 78.53 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.79 97.57 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . -139.44 160.68 39.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 56.59 159.91 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.47 150.32 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -51.48 -55.38 29.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 85' ' ' GLU . 18.3 Cg_endo -74.98 158.26 42.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -23.99 21.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' LYS . . . -103.25 -72.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.1 tmtm? 84.41 -75.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 t -116.39 -34.91 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.06 79.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.38 -165.57 10.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m 47.18 79.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.8 p -154.26 147.32 24.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.25 85.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 39.77 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 -165.26 37.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.28 96.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -125.83 -52.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.37 116.06 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 6' ' ' SER . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG13 ' CG ' ' A' ' 71' ' ' MET . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.569 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.475 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 38' ' ' PHE . 2.1 tt0 -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.569 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.585 ' CZ3' ' SD ' ' A' ' 67' ' ' MET . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 66' ' ' LYS . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.52 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' CG1' HG11 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.27 74.21 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -67.02 103.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.57 77.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.17 155.95 77.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 129.24 12.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -109.27 37.77 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -78.18 -54.54 1.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.1 Cg_endo -75.01 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 -23.21 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.57 174.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.0 79.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -118.22 103.18 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -160.81 153.93 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.17 96.71 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.19 151.23 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 t 63.35 131.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.936 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.153 . . . . 0.0 110.97 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 4' ' ' GLY . 59.1 p -128.47 114.82 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 64.38 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 96.45 -84.31 0.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 45.46 77.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.5 p -164.32 -57.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 116.6 0.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' SER . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 ' CG ' ' A' ' 71' ' ' MET . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.573 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.518 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 HG21 ' NZ ' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.574 ' CH2' HD12 ' A' ' 24' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.511 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.524 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.456 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 43' ' ' VAL . . . 70.09 78.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -153.4 27.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.14 161.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD12 ' CZ ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -76.96 138.51 65.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 55.45 3.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 42.32 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 113.71 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' SER . 18.2 Cg_endo -75.05 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER 78.72 -54.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.25 79.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.1 -64.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -65.85 153.98 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -161.23 158.76 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 164.8 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.8 t -114.8 -58.56 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -110.99 124.51 52.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 -70.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 130.23 6.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -117.91 -45.83 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER 178.46 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 120.47 6.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG13 ' CG ' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 6' ' ' SER . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' NE2' HG13 ' A' ' 22' ' ' VAL . 49.2 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 12' ' ' VAL . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.521 ' CG2' ' CE ' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.593 ' CH2' HD12 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.2 p30 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.493 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.42 ' SD ' ' OE1' ' A' ' 48' ' ' GLN . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' CB ' HG23 ' A' ' 43' ' ' VAL . . . 69.22 71.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.79 96.4 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.51 153.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.5 113.56 12.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 101.96 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -120.13 69.61 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.9 mt-10 168.5 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.97 141.75 27.12 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.1 p -127.61 151.32 49.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.51 94.28 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 -63.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.4 m 53.88 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -59.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -51.4 118.92 7.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.41 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t -148.45 120.85 8.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.34 100.15 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 102.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.38 -155.25 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.94 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.28 -15.95 61.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.29 113.97 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.451 ' N ' ' O ' ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 9' ' ' SER . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 23' ' ' GLU . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HG22 ' A' ' 12' ' ' VAL . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 37' ' ' LEU . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.497 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.653 ' CD2' ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CZ3' ' CD2' ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.453 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 82.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.83 109.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.31 72.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.8 mt -130.22 122.93 20.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.15 6.04 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.6 99.43 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -143.33 151.33 54.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.68 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.75 79.55 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.6 157.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 174.08 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -157.1 152.66 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.407 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -174.54 125.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.71 97.25 0.21 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -42.41 -50.2 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -40.07 122.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -49.03 -24.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -171.53 15.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -148.3 -53.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 66.69 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.6 127.39 8.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CD1' HG23 ' A' ' 26' ' ' THR . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 8' ' ' TYR . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.577 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.607 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.573 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 66' ' ' LYS . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 65' ' ' ILE . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.5 p30 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.464 ' CG ' HG13 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.568 ' HE1' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 43' ' ' VAL . . . 68.77 101.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' ALA . 18.2 t0 38.31 -137.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -162.07 87.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mp -87.52 144.73 35.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 75.03 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 47.4 60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -72.9 -52.45 5.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -75.0 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -165.08 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.24 74.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -94.48 172.16 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.1 m 56.85 95.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -126.25 -57.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.21 157.24 5.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.9 m -75.21 120.35 20.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.32 82.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -140.66 92.28 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.88 155.89 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.27 -170.83 29.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -174.68 125.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -158.55 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.42 116.08 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 6' ' ' SER . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.483 HG13 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG11 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.637 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.637 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' NE2' HG11 ' A' ' 22' ' ' VAL . 44.4 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.575 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.494 ' CG2' ' OE1' ' A' ' 48' ' ' GLN . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.603 ' CH2' HD11 ' A' ' 24' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 66' ' ' LYS . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 65' ' ' ILE . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.565 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.3 p30 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.483 ' CG ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.6 56.57 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t0 55.61 27.02 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.23 172.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.2 153.98 43.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.79 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.5 128.31 33.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.0 150.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.16 5.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.13 87.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.71 76.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.89 66.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -53.85 148.43 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.4 p -124.93 145.64 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.48 72.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.26 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 m -149.5 107.87 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 162.92 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m 60.06 169.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 136.82 46.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.97 145.46 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.81 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 124.31 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 9' ' ' SER . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.628 ' CD1' ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' HG2' ' CA ' ' A' ' 59' ' ' ASP . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 58' ' ' LYS . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.425 ' HG1' ' N ' ' A' ' 42' ' ' GLY . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HE1' ' A' ' 67' ' ' MET . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.568 ' HE1' ' CZ3' ' A' ' 62' ' ' TRP . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.1 p30 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.482 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 48' ' ' GLN . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.59 87.72 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.42 113.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 49.97 66.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 155.02 35.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.07 17.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 138.78 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -165.95 147.89 6.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 85' ' ' GLU . 18.2 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.54 127.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.01 170.33 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -62.88 135.84 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.6 m -93.25 -57.97 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -178.05 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -39.13 99.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.2 150.91 40.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.2 m -125.45 134.42 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 50' ' ' VAL . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.479 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.74 ' CH2' HD11 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.636 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.405 HG11 ' HE2' ' A' ' 33' ' ' PHE . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 75' ' ' MET . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.609 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HB2' HD23 ' A' ' 24' ' ' LEU . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG12 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' A' ' 41' ' ' THR . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG13 HE22 ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.835 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.835 ' CD1' HD13 ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 50' ' ' VAL . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.526 HE22 HG13 ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 HD22 ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 ' C ' ' A' ' 78' ' ' SER . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.019 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 1.019 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' SER . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.466 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.649 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' HE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 37' ' ' LEU . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.443 HG21 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 34' ' ' LYS . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 57' ' ' LEU . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HG13 ' A' ' 50' ' ' VAL . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.527 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 43' ' ' VAL . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.429 ' HB2' HD23 ' A' ' 24' ' ' LEU . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' PHE . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.612 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' VAL . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.918 HD22 HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.918 HD12 HD22 ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG13 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.811 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 65' ' ' ILE . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.93 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 9' ' ' SER . 3.0 p-10 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.604 ' CG1' HG13 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 75' ' ' MET . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.536 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.928 HD22 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD12 HD22 ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG22 ' C ' ' A' ' 78' ' ' SER . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 57' ' ' LEU . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.846 HD12 HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.81 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.501 HG22 ' HG2' ' A' ' 67' ' ' MET . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 65' ' ' ILE . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 53' ' ' LYS . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 50' ' ' VAL . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.634 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.591 ' C ' HG22 ' A' ' 43' ' ' VAL . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 73' ' ' VAL . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' SD ' ' A' ' 67' ' ' MET . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 HG21 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.601 ' HG3' HG12 ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.736 ' CH2' HD11 ' A' ' 24' ' ' LEU . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 62' ' ' TRP . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.858 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 10' ' ' VAL . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.757 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 43' ' ' VAL . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' LEU . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 11' ' ' THR . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG13 ' OE1' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.773 ' CD1' HD13 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.665 ' OE1' HG13 ' A' ' 22' ' ' VAL . 8.7 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' C ' ' A' ' 78' ' ' SER . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' HE1' ' A' ' 75' ' ' MET . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 HD12 ' A' ' 57' ' ' LEU . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.738 ' CH2' HD11 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.703 HD12 ' HE3' ' A' ' 62' ' ' TRP . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.634 ' HE2' HD21 ' A' ' 24' ' ' LEU . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.454 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB2' HD23 ' A' ' 24' ' ' LEU . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 37' ' ' LEU . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.599 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.0 p30 -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.676 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.812 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CD2' ' A' ' 37' ' ' LEU . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.599 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG22 ' N ' ' A' ' 79' ' ' ALA . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 57' ' ' LEU . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.222 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 1.222 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.404 HG13 HG13 ' A' ' 50' ' ' VAL . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 75' ' ' MET . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.626 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.717 ' N ' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.617 ' HB2' HD23 ' A' ' 24' ' ' LEU . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 37' ' ' LEU . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.73 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.716 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 HD22 ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.511 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 57' ' ' LEU . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.917 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.917 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.586 ' HG2' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.644 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HB2' HD23 ' A' ' 24' ' ' LEU . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 37' ' ' LEU . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' HG22 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 HE22 ' A' ' 36' ' ' GLN . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.678 HE22 HG13 ' A' ' 22' ' ' VAL . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.988 HD12 HD22 ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.55 HG22 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG22 ' C ' ' A' ' 78' ' ' SER . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG13 ' CG1' ' A' ' 73' ' ' VAL . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.07 HD21 ' CE3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 1.07 ' CE3' HD21 ' A' ' 57' ' ' LEU . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.556 ' CG1' HG13 ' A' ' 50' ' ' VAL . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.604 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HB2' HD23 ' A' ' 24' ' ' LEU . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.42 HG12 ' HG2' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.896 HD22 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.896 HD12 HD22 ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.543 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' HE2' ' A' ' 33' ' ' PHE . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.726 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.64 ' CG1' HG13 ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.678 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG12 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 41' ' ' THR . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 11' ' ' THR . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE3' ' OD2' ' A' ' 59' ' ' ASP . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 50' ' ' VAL . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.519 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 57' ' ' LEU . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.068 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HE3' ' A' ' 31' ' ' MET . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 1.068 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 62' ' ' TRP . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.49 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 75' ' ' MET . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.685 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 24' ' ' LEU . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.579 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' HG22 ' A' ' 41' ' ' THR . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' HD13 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.579 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.964 HG22 ' HB2' ' A' ' 79' ' ' ALA . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' HG3' HG12 ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 73' ' ' VAL . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.687 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.52 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 50' ' ' VAL . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.964 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HB2' HD23 ' A' ' 24' ' ' LEU . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD22 HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.676 HG11 HD12 ' A' ' 57' ' ' LEU . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.583 ' CG1' HG13 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.405 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 24' ' ' LEU . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 19' ' ' PHE . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' HG23 ' A' ' 11' ' ' THR . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 12' ' ' VAL . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.741 ' HE3' HD13 ' A' ' 57' ' ' LEU . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.86 ' CG2' ' HB2' ' A' ' 79' ' ' ALA . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' HG3' HG12 ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' HG23 ' A' ' 52' ' ' VAL . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.741 HD13 ' HE3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HE3' ' A' ' 62' ' ' TRP . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.688 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 8' ' ' TYR . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.788 ' HB2' HD23 ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG23 ' A' ' 11' ' ' THR . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG3' HE22 ' A' ' 36' ' ' GLN . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.981 ' HE2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.708 ' OE1' HG13 ' A' ' 22' ' ' VAL . 8.3 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.449 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD12 ' CD2' ' A' ' 37' ' ' LEU . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.981 HG21 ' HE2' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' VAL . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.624 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.714 ' CH2' HD11 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.495 HG13 ' CG1' ' A' ' 50' ' ' VAL . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 75' ' ' MET . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.572 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB2' HD23 ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' HG13 ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 73' ' ' VAL . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' HG22 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.778 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 36' ' ' GLN . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.531 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG3' HG12 ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 57' ' ' LEU . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.105 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 1.105 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.474 ' CE ' HD21 ' A' ' 24' ' ' LEU . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.429 ' CG ' HG12 ' A' ' 10' ' ' VAL . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 10' ' ' VAL . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.468 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' HD23 ' A' ' 24' ' ' LEU . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 ' CD2' ' A' ' 37' ' ' LEU . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.689 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.798 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.017 HD12 HD22 ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.597 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.044 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 34' ' ' LYS . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.853 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.673 HD12 ' HE3' ' A' ' 62' ' ' TRP . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.521 ' HG2' HG22 ' A' ' 65' ' ' ILE . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' SER . 2.3 p-10 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.582 ' HG2' HG12 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 50' ' ' VAL . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.044 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB2' HD23 ' A' ' 24' ' ' LEU . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.722 HG13 ' OE1' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.762 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.722 ' OE1' HG13 ' A' ' 22' ' ' VAL . 7.2 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.012 HD22 HD12 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.408 ' HB ' ' HE3' ' A' ' 75' ' ' MET . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 57' ' ' LEU . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.8 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.456 ' HE2' HD21 ' A' ' 24' ' ' LEU . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 50' ' ' VAL . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 74' ' ' LEU . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.408 ' HE3' ' HB ' ' A' ' 43' ' ' VAL . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB2' HD23 ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 37' ' ' LEU . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.7 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.757 ' CD1' HD13 ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD22 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 37' ' ' LEU . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.429 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.0 HG11 HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.0 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CH2' HD11 ' A' ' 24' ' ' LEU . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.723 ' HE2' HD21 ' A' ' 24' ' ' LEU . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.595 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.555 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 158.7 44.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.95 153.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 151.39 10.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.65 95.25 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.54 82.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.34 124.64 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 50' ' ' VAL . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.479 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.74 ' CH2' HD11 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.636 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.405 HG11 ' HE2' ' A' ' 33' ' ' PHE . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 75' ' ' MET . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.609 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.99 90.09 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.71 119.86 18.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.47 159.91 10.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 149.29 97.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 77.41 3.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.72 153.84 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -46.67 141.97 5.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.19 20.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.39 1.731 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m -137.19 88.58 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.25 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.15 163.48 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.9 m 66.41 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 159.49 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.88 163.19 22.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t 75.42 -59.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.44 115.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.51 122.14 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -173.5 139.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.56 117.03 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.96 -68.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -71.82 -44.51 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.02 115.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 6' ' ' SER . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG12 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' A' ' 41' ' ' THR . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG13 HE22 ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.835 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.835 ' CD1' HD13 ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 50' ' ' VAL . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.526 HE22 HG13 ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 HD22 ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 ' C ' ' A' ' 78' ' ' SER . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.019 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 1.019 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' SER . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.466 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.649 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.66 105.91 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -86.24 124.88 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -178.5 175.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.31 155.61 9.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.35 127.62 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.89 91.97 31.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.9 42.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.08 166.1 25.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.49 -59.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -156.97 144.95 19.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -177.18 158.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.73 136.69 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -53.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.762 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.74 129.53 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.5 t -159.45 119.83 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.55 144.22 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.27 168.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -118.36 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.39 171.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.27 75.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 137.83 10.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' HE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 37' ' ' LEU . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.443 HG21 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 34' ' ' LYS . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 57' ' ' LEU . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HG13 ' A' ' 50' ' ' VAL . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.527 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 43' ' ' VAL . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.97 70.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -71.02 97.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.97 158.54 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.63 112.63 9.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.96 39.04 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.2 mt-10 -78.27 -53.72 1.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.95 164.85 32.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 p -98.85 120.06 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.65 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 97.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -113.91 153.75 28.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -73.35 100.93 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.16 143.12 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.93 125.4 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -164.55 142.59 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 73.99 -69.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.023 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 157.01 22.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 140.38 8.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.1 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 2.7 m -78.46 -56.55 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.29 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 6' ' ' SER . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' PHE . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.612 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' VAL . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.918 HD22 HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.918 HD12 HD22 ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG13 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.811 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 65' ' ' ILE . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.93 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 9' ' ' SER . 3.0 p-10 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.604 ' CG1' HG13 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 75' ' ' MET . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.536 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.44 91.6 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.67 94.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.03 160.68 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.73 154.92 24.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.85 150.11 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 119.95 17.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.56 22.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.94 167.41 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -175.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -137.01 131.0 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.5 p -115.85 137.74 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.1 p -163.61 154.11 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.09 -172.29 36.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -52.95 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -174.78 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.51 107.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -58.66 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -131.06 147.86 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 -119.46 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 68.97 111.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.7 124.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.928 HD22 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD12 HD22 ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG22 ' C ' ' A' ' 78' ' ' SER . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 57' ' ' LEU . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.846 HD12 HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.81 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.501 HG22 ' HG2' ' A' ' 67' ' ' MET . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 65' ' ' ILE . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 53' ' ' LYS . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 50' ' ' VAL . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.634 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.591 ' C ' HG22 ' A' ' 43' ' ' VAL . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . -125.55 40.44 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 38.94 89.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -40.41 138.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -82.05 163.54 52.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD23 ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 68.01 5.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -150.19 175.37 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -138.64 67.12 43.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 133.91 17.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.55 115.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.15 -59.98 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 90' ' ' THR . 3.5 m -128.75 76.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.2 p -158.55 168.55 26.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -162.71 97.56 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.61 151.93 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -152.21 96.59 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.57 -58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.03 124.97 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 142.87 14.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.27 94.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.16 119.78 2.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 73' ' ' VAL . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' SD ' ' A' ' 67' ' ' MET . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 HG21 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.601 ' HG3' HG12 ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.736 ' CH2' HD11 ' A' ' 24' ' ' LEU . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 62' ' ' TRP . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.858 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 10' ' ' VAL . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.757 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 43' ' ' VAL . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.75 96.07 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.18 156.92 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 155.98 92.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.38 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.51 48.41 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.91 140.54 37.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.15 31.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.64 121.16 39.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.88 137.28 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -172.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.2 m -43.68 145.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -46.06 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -112.75 -147.51 10.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.65 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -171.58 94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.36 78.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.42 123.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -164.58 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 111.73 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -150.17 173.45 13.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 m -66.48 -57.49 7.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.28 116.16 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 6' ' ' SER . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 11' ' ' THR . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG13 ' OE1' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.773 ' CD1' HD13 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.665 ' OE1' HG13 ' A' ' 22' ' ' VAL . 8.7 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' C ' ' A' ' 78' ' ' SER . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' HE1' ' A' ' 75' ' ' MET . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 HD12 ' A' ' 57' ' ' LEU . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.738 ' CH2' HD11 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.703 HD12 ' HE3' ' A' ' 62' ' ' TRP . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.634 ' HE2' HD21 ' A' ' 24' ' ' LEU . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.454 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.28 99.37 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -121.01 101.13 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.38 162.46 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.657 HD23 ' HD2' ' A' ' 83' ' ' PRO . 0.5 OUTLIER -89.23 146.1 35.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.657 ' HD2' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.98 66.03 6.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.62 89.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -118.91 91.31 42.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.0 m 61.9 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.27 90.46 3.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -171.85 103.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -56.4 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -62.8 167.86 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.24 119.11 1.54 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -172.21 155.53 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.73 155.48 36.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m 64.35 86.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -54.24 123.65 13.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.72 -116.16 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.71 79.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.9 m -175.24 -54.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.67 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB2' HD23 ' A' ' 24' ' ' LEU . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 37' ' ' LEU . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.599 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 6.0 p30 -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.676 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.812 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CD2' ' A' ' 37' ' ' LEU . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.599 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG22 ' N ' ' A' ' 79' ' ' ALA . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 57' ' ' LEU . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.222 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 1.222 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.404 HG13 HG13 ' A' ' 50' ' ' VAL . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 75' ' ' MET . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.626 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.717 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -46.54 -94.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -141.34 96.16 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 61.54 171.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -46.11 111.25 1.39 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.71 86.28 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -91.66 139.28 24.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.94 -59.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.6 61.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.97 133.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -67.89 150.52 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.81 154.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 138.05 98.03 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.09 17.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m 63.66 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 p -113.29 159.69 19.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -64.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -137.62 -61.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -132.09 9.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -142.46 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -104.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . 59.9 140.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.617 ' HB2' HD23 ' A' ' 24' ' ' LEU . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 37' ' ' LEU . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.73 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.716 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 HD22 ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.511 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 57' ' ' LEU . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.917 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.917 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.586 ' HG2' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.644 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.74 95.51 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.3 t70 -97.43 26.95 4.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . 68.61 128.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -74.51 149.1 86.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.85 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 178.13 154.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.48 148.6 34.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.81 42.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.24 127.15 11.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.88 84.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -44.23 132.32 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -70.36 133.12 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m 61.47 97.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.18 -95.52 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -28.73 9.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.4 p -67.79 132.55 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.08 146.27 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.4 142.07 16.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -57.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.14 -131.02 2.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m 59.99 74.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.05 65.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 127.42 6.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HB2' HD23 ' A' ' 24' ' ' LEU . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 37' ' ' LEU . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' HG22 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 HE22 ' A' ' 36' ' ' GLN . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.678 HE22 HG13 ' A' ' 22' ' ' VAL . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.988 HD12 HD22 ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.55 HG22 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG22 ' C ' ' A' ' 78' ' ' SER . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG13 ' CG1' ' A' ' 73' ' ' VAL . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.07 HD21 ' CE3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 1.07 ' CE3' HD21 ' A' ' 57' ' ' LEU . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.556 ' CG1' HG13 ' A' ' 50' ' ' VAL . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.604 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.23 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.84 102.64 12.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.01 125.17 49.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.06 126.64 20.45 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.31 29.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.4 152.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.32 92.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.61 124.63 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.98 163.59 12.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.7 m -94.21 149.17 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.1 m -129.94 167.04 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 157.36 27.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -81.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.87 -176.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -95.19 172.88 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 120.71 40.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.92 131.13 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.01 86.59 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.46 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.95 74.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.76 122.13 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HB2' HD23 ' A' ' 24' ' ' LEU . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.42 HG12 ' HG2' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.896 HD22 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.896 HD12 HD22 ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.543 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' HE2' ' A' ' 33' ' ' PHE . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.726 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.64 ' CG1' HG13 ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.678 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . -119.31 92.45 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -45.48 115.68 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.0 108.13 7.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 163.56 61.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 60.37 5.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.1 153.63 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.3 mt-10 -97.46 129.14 32.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 18.2 Cg_endo -75.04 177.21 8.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.2 167.06 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.57 170.38 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.11 158.37 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.2 m 61.67 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.7 p -151.12 157.25 42.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.4 85.18 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.54 166.53 24.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t 61.37 120.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -120.58 -58.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.11 -57.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 114.29 4.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.28 156.29 45.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 2.7 m -67.03 -53.1 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 114.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG12 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 41' ' ' THR . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 11' ' ' THR . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE3' ' OD2' ' A' ' 59' ' ' ASP . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 50' ' ' VAL . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.519 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 57' ' ' LEU . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.068 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HE3' ' A' ' 31' ' ' MET . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 1.068 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 62' ' ' TRP . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.49 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 75' ' ' MET . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.685 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . 84.59 -7.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 57.8 112.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.57 155.25 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.94 163.11 19.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 68.13 80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.52 148.84 45.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.73 14.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -41.34 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.34 172.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 172.72 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 t -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.88 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.78 -176.9 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t 64.95 135.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.8 t -122.48 144.5 49.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -130.96 162.41 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -138.25 140.23 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.54 -92.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -52.38 -72.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -87.8 -49.68 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.5 114.8 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 24' ' ' LEU . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.579 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' HG22 ' A' ' 41' ' ' THR . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' HD13 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.579 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.964 HG22 ' HB2' ' A' ' 79' ' ' ALA . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' HG3' HG12 ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 73' ' ' VAL . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.687 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.52 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 50' ' ' VAL . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.964 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 67.86 78.53 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.79 97.57 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . -139.44 160.68 39.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 56.59 159.91 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.47 150.32 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -51.48 -55.38 29.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 85' ' ' GLU . 18.3 Cg_endo -74.98 158.26 42.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -23.99 21.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' LYS . . . -103.25 -72.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.1 tmtm? 84.41 -75.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 t -116.39 -34.91 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.06 79.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.38 -165.57 10.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m 47.18 79.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.8 p -154.26 147.32 24.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.25 85.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 39.77 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 -165.26 37.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.28 96.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -125.83 -52.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.37 116.06 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HB2' HD23 ' A' ' 24' ' ' LEU . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' C ' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD22 HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG11 HD12 ' A' ' 57' ' ' LEU . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.583 ' CG1' HG13 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.405 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.27 74.21 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -67.02 103.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.57 77.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 83' ' ' PRO . 1.0 OUTLIER -64.17 155.95 77.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.99 129.24 12.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -109.27 37.77 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -78.18 -54.54 1.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.1 Cg_endo -75.01 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 -23.21 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.57 174.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.0 79.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -118.22 103.18 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -160.81 153.93 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.17 96.71 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.19 151.23 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 t 63.35 131.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.936 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.153 . . . . 0.0 110.97 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 4' ' ' GLY . 59.1 p -128.47 114.82 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 64.38 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 96.45 -84.31 0.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 45.46 77.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.593 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.5 p -164.32 -57.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 116.6 0.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' SER . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 19' ' ' PHE . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' HG23 ' A' ' 11' ' ' THR . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 12' ' ' VAL . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.741 ' HE3' HD13 ' A' ' 57' ' ' LEU . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.86 ' CG2' ' HB2' ' A' ' 79' ' ' ALA . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CZ ' HD11 ' A' ' 82' ' ' LEU . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' HG3' HG12 ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' HG23 ' A' ' 52' ' ' VAL . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.741 HD13 ' HE3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HE3' ' A' ' 62' ' ' TRP . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.688 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 8' ' ' TYR . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . 70.09 78.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -153.4 27.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.14 161.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -76.96 138.51 65.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 55.45 3.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 42.32 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 113.71 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' SER . 18.2 Cg_endo -75.05 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER 78.72 -54.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.25 79.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.1 -64.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -65.85 153.98 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -161.23 158.76 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 164.8 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.8 t -114.8 -58.56 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -110.99 124.51 52.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 -70.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 130.23 6.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -117.91 -45.83 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER 178.46 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 120.47 6.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.788 ' HB2' HD23 ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG23 ' A' ' 11' ' ' THR . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HG3' HE22 ' A' ' 36' ' ' GLN . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 6' ' ' SER . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.981 ' HE2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.708 ' OE1' HG13 ' A' ' 22' ' ' VAL . 8.3 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.449 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD12 ' CD2' ' A' ' 37' ' ' LEU . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.981 HG21 ' HE2' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' VAL . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.624 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.714 ' CH2' HD11 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.495 HG13 ' CG1' ' A' ' 50' ' ' VAL . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 75' ' ' MET . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.572 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 69.22 71.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.79 96.4 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.51 153.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.5 113.56 12.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 101.96 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -120.13 69.61 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.9 mt-10 168.5 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.97 141.75 27.12 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.1 p -127.61 151.32 49.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.51 94.28 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 -63.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.4 m 53.88 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -59.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -51.4 118.92 7.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.41 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t -148.45 120.85 8.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.34 100.15 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 102.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.38 -155.25 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.94 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.28 -15.95 61.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.29 113.97 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB2' HD23 ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' HG13 ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 73' ' ' VAL . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' HG22 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.778 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 36' ' ' GLN . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.531 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.436 HH12 HD11 ' A' ' 82' ' ' LEU . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG3' HG12 ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 57' ' ' LEU . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.105 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 1.105 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.474 ' CE ' HD21 ' A' ' 24' ' ' LEU . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.429 ' CG ' HG12 ' A' ' 10' ' ' VAL . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 10' ' ' VAL . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.468 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 82' ' ' LEU . . . -65.46 82.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.83 109.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.31 72.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 4.8 mt -130.22 122.93 20.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.15 6.04 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.6 99.43 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -143.33 151.33 54.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.68 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.75 79.55 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.6 157.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 174.08 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -157.1 152.66 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.407 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -174.54 125.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.71 97.25 0.21 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -42.41 -50.2 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -40.07 122.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -49.03 -24.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -171.53 15.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -148.3 -53.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 66.69 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.6 127.39 8.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' HD23 ' A' ' 24' ' ' LEU . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 ' CD2' ' A' ' 37' ' ' LEU . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.689 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.798 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.017 HD12 HD22 ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.597 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.044 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 34' ' ' LYS . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.853 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.673 HD12 ' HE3' ' A' ' 62' ' ' TRP . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.521 ' HG2' HG22 ' A' ' 65' ' ' ILE . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' SER . 2.3 p-10 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.582 ' HG2' HG12 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 50' ' ' VAL . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.044 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 68.77 101.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' ALA . 18.2 t0 38.31 -137.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -162.07 87.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD23 ' HG3' ' A' ' 85' ' ' GLU . 5.5 mp -87.52 144.73 35.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.97 75.03 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 47.4 60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -72.9 -52.45 5.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -75.0 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -165.08 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.24 74.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -94.48 172.16 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.1 m 56.85 95.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -126.25 -57.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.21 157.24 5.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.9 m -75.21 120.35 20.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.32 82.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -140.66 92.28 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.88 155.89 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.27 -170.83 29.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -174.68 125.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -158.55 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.42 116.08 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB2' HD23 ' A' ' 24' ' ' LEU . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.722 HG13 ' OE1' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.762 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.722 ' OE1' HG13 ' A' ' 22' ' ' VAL . 7.2 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.012 HD22 HD12 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.408 ' HB ' ' HE3' ' A' ' 75' ' ' MET . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 57' ' ' LEU . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.8 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.456 ' HE2' HD21 ' A' ' 24' ' ' LEU . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 50' ' ' VAL . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 74' ' ' LEU . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.408 ' HE3' ' HB ' ' A' ' 43' ' ' VAL . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.6 56.57 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t0 55.61 27.02 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.23 172.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.2 153.98 43.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.79 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.5 128.31 33.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.0 150.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.16 5.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.13 87.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.71 76.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.89 66.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -53.85 148.43 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.4 p -124.93 145.64 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.48 72.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.26 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 m -149.5 107.87 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 162.92 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m 60.06 169.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 136.82 46.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.97 145.46 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.81 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 124.31 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB2' HD23 ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 37' ' ' LEU . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.7 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.757 ' CD1' HD13 ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD22 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 37' ' ' LEU . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.429 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.0 HG11 HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.0 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CH2' HD11 ' A' ' 24' ' ' LEU . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.723 ' HE2' HD21 ' A' ' 24' ' ' LEU . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.595 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.555 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . -120.59 87.72 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.42 113.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 49.97 66.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 155.02 35.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.07 17.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 138.78 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -165.95 147.89 6.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 85' ' ' GLU . 18.2 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.54 127.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.01 170.33 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -62.88 135.84 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.6 m -93.25 -57.97 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -178.05 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -39.13 99.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.2 150.91 40.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.2 m -125.45 134.42 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 50' ' ' VAL . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 1.4 tt0 -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.479 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.74 ' CH2' HD11 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.636 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.405 HG11 ' HE2' ' A' ' 33' ' ' PHE . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 75' ' ' MET . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.609 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' HB2' HD23 ' A' ' 24' ' ' LEU . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG12 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' A' ' 41' ' ' THR . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG13 HE22 ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.835 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.835 ' CD1' HD13 ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 50' ' ' VAL . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.526 HE22 HG13 ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 HD22 ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 ' C ' ' A' ' 78' ' ' SER . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.019 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 1.019 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' SER . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.466 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.649 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' HE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 37' ' ' LEU . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.443 HG21 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 34' ' ' LYS . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 57' ' ' LEU . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.514 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HG13 ' A' ' 50' ' ' VAL . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.527 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 43' ' ' VAL . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.429 ' HB2' HD23 ' A' ' 24' ' ' LEU . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' PHE . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.612 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' VAL . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.451 ' NE2' HG13 ' A' ' 22' ' ' VAL . 46.8 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.918 HD22 HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.918 HD12 HD22 ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG13 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.811 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 65' ' ' ILE . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.93 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.604 ' CG1' HG13 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 75' ' ' MET . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.536 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.5 tt0 -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.928 HD22 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.928 HD12 HD22 ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG22 ' C ' ' A' ' 78' ' ' SER . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 57' ' ' LEU . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.846 HD12 HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.81 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.501 HG22 ' HG2' ' A' ' 67' ' ' MET . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 65' ' ' ILE . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 53' ' ' LYS . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 50' ' ' VAL . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.634 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.591 ' C ' HG22 ' A' ' 43' ' ' VAL . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 73' ' ' VAL . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' SD ' ' A' ' 67' ' ' MET . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 HG21 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.601 ' HG3' HG12 ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.736 ' CH2' HD11 ' A' ' 24' ' ' LEU . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 62' ' ' TRP . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.858 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 10' ' ' VAL . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.757 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 43' ' ' VAL . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' LEU . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 11' ' ' THR . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG13 ' NE2' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.773 ' CD1' HD13 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.815 ' NE2' HG13 ' A' ' 22' ' ' VAL . 52.1 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.802 HD11 HE21 ' A' ' 36' ' ' GLN . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' C ' ' A' ' 78' ' ' SER . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' HE1' ' A' ' 75' ' ' MET . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 HD12 ' A' ' 57' ' ' LEU . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.738 ' CH2' HD11 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.703 HD12 ' HE3' ' A' ' 62' ' ' TRP . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.634 ' HE2' HD21 ' A' ' 24' ' ' LEU . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.454 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB2' HD23 ' A' ' 24' ' ' LEU . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 37' ' ' LEU . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.599 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.676 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.812 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CD2' ' A' ' 37' ' ' LEU . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.599 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG22 ' N ' ' A' ' 79' ' ' ALA . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 57' ' ' LEU . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.222 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 1.222 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.404 HG13 HG13 ' A' ' 50' ' ' VAL . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 75' ' ' MET . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.626 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.717 ' N ' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.617 ' HB2' HD23 ' A' ' 24' ' ' LEU . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 37' ' ' LEU . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.73 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.716 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 HD22 ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.511 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 57' ' ' LEU . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.917 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.917 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.586 ' HG2' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.644 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HB2' HD23 ' A' ' 24' ' ' LEU . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 37' ' ' LEU . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' HG22 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 HE22 ' A' ' 36' ' ' GLN . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.678 HE22 HG13 ' A' ' 22' ' ' VAL . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.988 HD12 HD22 ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.55 HG22 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.604 HG22 ' C ' ' A' ' 78' ' ' SER . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG13 ' CG1' ' A' ' 73' ' ' VAL . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.07 HD21 ' CE3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 1.07 ' CE3' HD21 ' A' ' 57' ' ' LEU . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.556 ' CG1' HG13 ' A' ' 50' ' ' VAL . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.604 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HB2' HD23 ' A' ' 24' ' ' LEU . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.42 HG12 ' HG2' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.409 HG13 HE21 ' A' ' 36' ' ' GLN . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.6 tt0 -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.896 HD22 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.896 HD12 HD22 ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.543 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' HE2' ' A' ' 33' ' ' PHE . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.726 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.64 ' CG1' HG13 ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.678 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG12 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 41' ' ' THR . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 11' ' ' THR . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE3' ' OD2' ' A' ' 59' ' ' ASP . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 50' ' ' VAL . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.519 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 57' ' ' LEU . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.068 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HE3' ' A' ' 31' ' ' MET . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 1.068 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 62' ' ' TRP . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.49 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 75' ' ' MET . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.685 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 24' ' ' LEU . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.579 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' HG22 ' A' ' 41' ' ' THR . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' HD13 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.579 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.964 HG22 ' HB2' ' A' ' 79' ' ' ALA . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' HG3' HG12 ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 73' ' ' VAL . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.687 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.52 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 50' ' ' VAL . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.964 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HB2' HD23 ' A' ' 24' ' ' LEU . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 HE21 ' A' ' 36' ' ' GLN . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.497 HE21 HG13 ' A' ' 22' ' ' VAL . 2.1 tt0 -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD22 HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.676 HG11 HD12 ' A' ' 57' ' ' LEU . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.583 ' CG1' HG13 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.405 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.563 ' HB2' HD23 ' A' ' 24' ' ' LEU . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 19' ' ' PHE . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' HG23 ' A' ' 11' ' ' THR . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 12' ' ' VAL . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.741 ' HE3' HD13 ' A' ' 57' ' ' LEU . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.86 ' CG2' ' HB2' ' A' ' 79' ' ' ALA . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' HG3' HG12 ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' HG23 ' A' ' 52' ' ' VAL . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.741 HD13 ' HE3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HE3' ' A' ' 62' ' ' TRP . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.688 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 8' ' ' TYR . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.788 ' HB2' HD23 ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG23 ' A' ' 11' ' ' THR . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG13 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.981 ' HE2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.881 HE21 HD11 ' A' ' 40' ' ' LEU . 49.2 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.449 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.881 HD11 HE21 ' A' ' 36' ' ' GLN . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.981 HG21 ' HE2' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' VAL . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.624 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.714 ' CH2' HD11 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.53 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.495 HG13 ' CG1' ' A' ' 50' ' ' VAL . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 75' ' ' MET . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.572 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB2' HD23 ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' HG13 ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 73' ' ' VAL . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' HG22 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.778 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 36' ' ' GLN . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.531 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG3' HG12 ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 57' ' ' LEU . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.105 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 1.105 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.474 ' CE ' HD21 ' A' ' 24' ' ' LEU . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.429 ' CG ' HG12 ' A' ' 10' ' ' VAL . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 10' ' ' VAL . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.468 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' HD23 ' A' ' 24' ' ' LEU . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 ' CD2' ' A' ' 37' ' ' LEU . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.689 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.798 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.017 HD12 HD22 ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.597 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.044 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 34' ' ' LYS . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.853 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.673 HD12 ' HE3' ' A' ' 62' ' ' TRP . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.521 ' HG2' HG22 ' A' ' 65' ' ' ILE . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.5 p30 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.582 ' HG2' HG12 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 50' ' ' VAL . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.044 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB2' HD23 ' A' ' 24' ' ' LEU . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.884 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.762 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.884 ' NE2' HG13 ' A' ' 22' ' ' VAL . 44.4 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.012 HD22 HD12 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.408 ' HB ' ' HE3' ' A' ' 75' ' ' MET . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 57' ' ' LEU . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.8 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.456 ' HE2' HD21 ' A' ' 24' ' ' LEU . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.523 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 50' ' ' VAL . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 74' ' ' LEU . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.408 ' HE3' ' HB ' ' A' ' 43' ' ' VAL . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB2' HD23 ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 37' ' ' LEU . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.7 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.757 ' CD1' HD13 ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD22 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 37' ' ' LEU . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.429 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.0 HG11 HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.0 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CH2' HD11 ' A' ' 24' ' ' LEU . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.723 ' HE2' HD21 ' A' ' 24' ' ' LEU . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.595 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.555 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 158.7 44.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.95 153.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.22 151.39 10.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.65 95.25 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.54 82.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.34 124.64 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.578 ' HB2' HD23 ' A' ' 24' ' ' LEU . 75.5 m-85 -112.45 166.28 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.45 118.96 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.49 171.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 121.55 45.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.4 t -89.64 128.1 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -114.14 114.34 25.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' GLU . 16.1 t90 -123.73 94.95 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.14 -130.28 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -56.49 -35.1 67.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' TRP . 15.7 mm-40 -69.92 146.52 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.54 140.27 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 70.4 m-85 -138.13 113.55 9.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -117.62 123.02 45.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.5 1.38 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -91.32 149.8 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -92.85 109.33 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -117.79 146.8 43.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -130.85 147.1 52.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 p -107.59 -31.22 8.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -55.67 -25.73 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.5 -178.82 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 165.7 30.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -12.09 21.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 5.8 mtp -66.6 -28.28 68.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' ALA . 77.8 t -66.94 -59.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 62.3 t80 -49.06 -32.97 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 50' ' ' VAL . 55.4 mttt -81.39 -25.4 36.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.05 -27.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ALA . 1.4 tt0 -82.18 -49.34 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.4 mt -45.99 -29.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.27 -34.71 75.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.81 -6.1 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 94.1 mt -97.57 -42.33 7.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.479 HG21 ' CE ' ' A' ' 75' ' ' MET . 67.7 p -105.06 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.82 3.81 8.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 55.9 t -98.46 148.77 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.8 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -57.83 157.01 16.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -2.04 12.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.61 -54.76 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -21.78 66.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 15.5 mt-30 -70.94 95.75 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -73.06 92.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 57' ' ' LEU . 59.3 t -82.7 103.78 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.6 170.7 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.0 t -135.68 156.23 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.4 mtpt -33.16 -40.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.05 44.04 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.12 -169.22 37.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m -122.73 147.06 46.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.357 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -73.95 132.57 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -76.71 -172.05 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 3.4 p-10 -128.22 -45.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.28 -57.04 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.37 160.08 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.74 ' CH2' HD11 ' A' ' 24' ' ' LEU . 64.5 m95 -66.46 -59.62 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.43 54.64 1.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t30 49.54 46.99 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.4 mt -73.05 147.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 90.11 6.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.636 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -98.86 161.62 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 152.27 27.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -92.2 119.16 31.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.58 -29.89 3.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.01 138.46 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.405 HG11 ' HE2' ' A' ' 33' ' ' PHE . 38.7 t -113.8 123.36 69.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 75' ' ' MET . 1.1 tm? -96.8 132.52 42.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.609 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.6 tmm? -119.86 147.4 44.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mmt -142.65 119.83 11.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.7 21.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.54 143.87 49.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.99 90.09 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.24 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.71 119.86 18.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.47 159.91 10.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 149.29 97.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 77.41 3.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.72 153.84 21.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -46.67 141.97 5.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.19 20.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.39 1.731 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 m -137.19 88.58 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.25 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.15 163.48 12.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.9 m 66.41 -77.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.68 159.49 19.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.88 163.19 22.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t 75.42 -59.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.44 115.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -79.51 122.14 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -173.5 139.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.56 117.03 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.96 -68.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -71.82 -44.51 63.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.02 115.2 0.27 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 6' ' ' SER . 57.8 m-85 -94.92 162.27 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -124.05 112.77 17.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG12 ' CG ' ' A' ' 71' ' ' MET . 34.1 m -120.66 171.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -112.88 125.83 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.5 t -90.06 123.79 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -116.66 110.45 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 17.1 t90 -121.04 111.22 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -36.84 130.4 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.95 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -117.54 168.26 10.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -143.12 131.49 22.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' A' ' 41' ' ' THR . 83.8 m-85 -134.41 113.6 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.42 125.13 46.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.37 57.71 1.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG13 HE22 ' A' ' 36' ' ' GLN . 98.0 t -100.84 140.01 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.74 131.3 36.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.835 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.9 tp -137.88 141.41 40.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -130.03 136.81 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 4.5 p -98.67 -31.98 11.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.73 -25.49 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.4 -179.3 0.68 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.05 167.68 26.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.0 -13.18 21.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.4 mtp -61.86 -35.98 79.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' ALA . 38.8 t -65.48 -56.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.835 ' CD1' HD13 ' A' ' 24' ' ' LEU . 75.8 t80 -51.23 -29.42 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HG2' HG21 ' A' ' 50' ' ' VAL . 33.1 mttt -86.69 -22.11 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.36 -33.57 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.526 HE22 HG13 ' A' ' 22' ' ' VAL . 5.4 tt0 -74.69 -50.6 16.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mt -46.15 -35.25 4.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.5 t80 -55.5 -32.94 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.67 -16.45 26.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 HD22 ' A' ' 37' ' ' LEU . 9.0 mt -79.23 -47.34 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 28.6 p -107.29 -64.62 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 141.59 -13.38 2.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.649 HG22 ' C ' ' A' ' 78' ' ' SER . 78.1 t -76.88 136.62 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 55.9 mm-40 -57.08 157.12 12.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.88 8.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.89 -31.27 11.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -95.4 -27.67 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -61.0 92.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -71.37 93.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 57' ' ' LEU . 47.5 t -84.62 106.33 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.19 170.76 15.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -137.43 156.6 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.3 mmtp -31.99 -44.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.68 45.62 0.53 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.61 -169.48 39.38 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.0 m -125.16 145.31 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.019 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -74.82 119.31 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -62.88 -172.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.74 -47.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 -56.19 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.89 157.09 37.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 1.019 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.8 m95 -64.51 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.17 -140.33 14.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -89.76 45.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.8 mt -90.05 133.84 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.74 109.13 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 63.5 mmm -107.83 148.13 29.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.04 153.17 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 9' ' ' SER . 6.1 m-20 -89.47 112.53 23.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.28 -27.42 4.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.466 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.67 -174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.62 137.14 52.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.6 t -108.41 118.53 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -91.75 127.78 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -119.59 148.47 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.9 124.91 13.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.58 177.64 32.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.649 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -133.72 168.61 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.66 105.91 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -86.24 124.88 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -178.5 175.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.31 155.61 9.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 92.45 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.35 127.62 6.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -131.89 91.97 31.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.9 42.9 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.08 166.1 25.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.49 -59.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -156.97 144.95 19.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.9 p -177.18 158.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.73 136.69 12.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -53.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.762 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.74 129.53 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.5 t -159.45 119.83 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.55 144.22 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.27 168.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -118.36 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.39 171.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.27 75.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.09 137.83 10.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -122.91 155.55 36.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.96 121.95 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 27.2 m -132.14 178.14 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -125.67 125.28 42.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 37' ' ' LEU . 21.6 t -89.3 131.62 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -119.83 111.71 18.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.0 t90 -120.75 95.64 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.15 -129.42 1.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -57.09 -35.39 69.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.7 mm-40 -69.05 146.53 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -141.44 142.21 33.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 78.9 m-85 -137.97 114.76 10.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.92 126.34 52.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.25 55.27 1.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -101.38 153.95 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.14 129.02 45.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.732 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -135.87 137.54 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -128.92 140.46 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HG1' ' HE1' ' A' ' 8' ' ' TYR . 2.9 p -97.3 -31.34 12.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -51.55 -25.66 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.4 -178.87 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 110.268 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 166.36 29.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.0 -14.03 21.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.7 mtp -62.61 -38.53 90.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 95.7 t -56.71 -61.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.5 t80 -47.03 -38.41 10.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' NZ ' HD13 ' A' ' 57' ' ' LEU . 31.6 mttp -76.3 -28.08 56.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -65.57 -32.79 74.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.1 tt0 -75.62 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.2 mt -48.39 -34.17 10.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.5 -33.09 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.03 -12.72 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 37' ' ' LEU . 84.7 mt -90.89 -39.81 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.443 HG21 ' CE ' ' A' ' 75' ' ' MET . 59.0 p -107.44 -62.85 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.56 -9.78 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 46.1 t -83.89 139.9 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.98 154.82 1.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -11.76 21.57 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.03 -48.34 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 1.7 mpt_? -71.91 -34.65 69.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 43' ' ' VAL . 10.3 mt-30 -52.46 98.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -74.28 93.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 34' ' ' LYS . 21.2 t -86.36 108.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 170.74 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.5 t -135.65 156.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 52' ' ' VAL . 11.2 mmtt -31.38 -45.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.83 45.87 0.56 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.51 -173.11 42.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.6 m -122.93 143.21 50.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.836 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -83.45 122.93 29.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -80.35 173.43 12.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -125.68 90.14 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 59' ' ' ASP . 1.2 m-20 155.65 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -154.14 132.02 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.836 ' CH2' HD11 ' A' ' 57' ' ' LEU . 70.3 m95 -63.86 -60.64 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.18 -171.01 29.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.73 60.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 0.756 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.7 mt -102.54 140.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.67 110.19 21.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.605 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.9 mtp -108.37 149.05 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.1 157.21 38.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.514 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -91.2 119.61 31.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -38.82 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.6 ptm -49.38 169.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -118.48 138.6 52.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HG13 ' A' ' 50' ' ' VAL . 49.8 t -105.95 126.83 61.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -100.12 128.25 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.527 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.1 tmm? -116.97 148.69 41.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.48 138.44 32.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.73 172.44 12.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 43' ' ' VAL . 3.7 m -133.08 162.63 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.97 70.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -71.02 97.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.97 158.54 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.63 112.63 9.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.96 39.04 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.2 mt-10 -78.27 -53.72 1.31 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.95 164.85 32.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.6 p -98.85 120.06 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.65 -70.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 97.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.3 m -113.91 153.75 28.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -73.35 100.93 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.16 143.12 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.801 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.93 125.4 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -164.55 142.59 6.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 73.99 -69.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.023 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 157.01 22.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 140.38 8.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.1 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.581 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 2.7 m -78.46 -56.55 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.29 0.31 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 6' ' ' SER . 58.6 m-85 -102.32 156.59 17.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -119.24 112.45 19.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.99 172.87 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' PHE . 2.8 m -113.74 155.57 25.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.8 t -120.63 136.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 115.22 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.612 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.2 t90 -123.71 95.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.33 -129.2 1.72 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.36 -33.65 71.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 67.8 mm-40 -69.86 147.28 50.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -141.04 138.27 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 11' ' ' THR . 70.7 m-85 -137.03 111.69 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -113.98 122.18 46.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.71 56.69 0.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -101.68 119.69 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.39 120.27 10.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.3 OUTLIER -130.01 136.58 49.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -130.16 143.39 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.3 p -97.31 -36.46 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -42.44 -29.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -109.48 -179.64 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -75.0 172.6 16.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -24.05 13.3 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mtp -49.08 -42.35 38.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 8.8 t -59.62 -57.5 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 24' ' ' LEU . 66.7 t80 -53.32 -32.03 47.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -84.94 -18.98 32.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 32' ' ' VAL . . . -69.32 -31.65 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' NE2' HG13 ' A' ' 22' ' ' VAL . 46.8 tt0 -77.75 -44.05 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.918 HD22 HD12 ' A' ' 40' ' ' LEU . 5.0 mt -54.31 -32.25 56.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.66 -33.91 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.5 -11.42 37.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.918 HD12 HD22 ' A' ' 37' ' ' LEU . 23.3 mt -79.14 -50.83 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 19.4 p -108.36 -57.16 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.63 -10.73 3.45 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 48' ' ' GLN . 52.0 t -75.95 140.89 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.08 156.77 66.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.21 -34.69 9.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -91.0 -32.9 15.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.585 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.5 mt-30 -52.92 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -75.07 98.77 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG13 ' CG1' ' A' ' 73' ' ' VAL . 23.2 t -95.36 101.36 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.9 170.7 16.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.1 t -136.57 156.39 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 52' ' ' VAL . 21.6 mmtt -32.59 -43.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.93 45.41 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -177.27 -171.72 41.09 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 34.0 m -123.34 141.37 52.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -73.05 117.17 14.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -61.87 -173.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -125.28 -53.31 1.61 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -56.98 -47.22 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -169.85 157.79 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.811 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 50.0 m95 -63.27 -59.21 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.68 -71.16 0.37 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.74 36.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 65' ' ' ILE . 9.1 mm -65.67 147.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 71.05 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.93 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -73.3 154.12 40.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -153.09 154.78 35.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -93.74 120.43 34.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.15 -36.51 2.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -175.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.3 136.93 49.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.391 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.604 ' CG1' HG13 ' A' ' 50' ' ' VAL . 73.3 t -106.34 130.49 57.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 75' ' ' MET . 1.6 tm? -94.49 125.57 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.536 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.8 ttp -113.3 130.87 56.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmm -137.86 131.74 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.83 167.37 20.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.098 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.8 m -128.88 131.24 47.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.006 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.44 91.6 5.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.67 94.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.03 160.68 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.73 154.92 24.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -101.85 150.11 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 119.95 17.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 169.56 22.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.94 167.41 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -175.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -137.01 131.0 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.5 p -115.85 137.74 51.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.1 p -163.61 154.11 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.09 -172.29 36.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -52.95 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -174.78 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.51 107.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -58.66 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -131.06 147.86 52.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 -119.46 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m 68.97 111.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.71 -71.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.7 124.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD2' ' OD1' ' A' ' 69' ' ' ASN . 13.2 m-85 -126.77 162.19 26.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 25.8 t -120.88 143.67 48.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.048 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.6 m -148.23 -174.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -132.51 121.32 23.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 37' ' ' LEU . 16.6 t -88.85 122.38 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -114.46 109.57 18.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.567 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.6 t90 -121.48 99.25 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.015 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.07 -132.42 0.77 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.58 -35.83 66.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.6 mm-40 -65.78 132.59 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.95 136.1 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.479 ' CE2' HG22 ' A' ' 41' ' ' THR . 89.2 m-85 -137.24 111.08 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.74 124.02 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.93 53.09 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -98.79 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.32 129.95 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.7 tp -137.23 139.38 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -129.85 138.45 50.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -100.3 -27.83 13.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' OE2' ' A' ' 28' ' ' GLU . 29.6 t0 -55.8 -19.26 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.569 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -113.79 -177.9 0.48 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.02 168.85 23.91 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -16.99 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.405 ' SD ' ' OD1' ' A' ' 59' ' ' ASP . 28.4 mtp -59.89 -31.31 69.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' ALA . 97.3 t -64.53 -63.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.9 t80 -50.11 -31.09 12.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 60.1 mttt -83.71 -23.44 31.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -70.93 -28.05 64.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.5 tt0 -81.24 -48.45 12.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.928 HD22 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -47.14 -25.32 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLN . 1.2 t80 -66.33 -35.65 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.24 -5.98 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.928 HD12 HD22 ' A' ' 37' ' ' LEU . 21.3 mt -84.97 -54.92 4.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 19' ' ' PHE . 20.2 p -105.25 -54.44 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.4 -8.34 4.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG22 ' C ' ' A' ' 78' ' ' SER . 25.5 t -79.56 144.9 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -67.14 158.87 79.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.57 6.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.53 -28.29 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 1.3 mtm180 -94.04 -34.65 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.5 mt-30 -60.56 95.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -73.05 92.89 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.846 HG11 HD12 ' A' ' 57' ' ' LEU . 47.1 t -83.18 99.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.36 170.88 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.9 t -134.39 156.03 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -34.2 -38.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.18 41.78 0.51 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.33 -168.3 33.55 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 m -129.01 142.56 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.846 HD12 HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.03 126.09 28.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -70.62 -171.95 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' OD1' ' SD ' ' A' ' 31' ' ' MET . 2.9 t0 -128.48 -47.05 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -67.28 -50.85 58.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.55 154.72 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.81 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 59.2 m95 -62.38 -62.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.057 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.8 58.17 1.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 45.18 57.09 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.501 HG22 ' HG2' ' A' ' 67' ' ' MET . 60.1 mt -80.24 139.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -73.94 69.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.501 ' HG2' HG22 ' A' ' 65' ' ' ILE . 82.7 mmm -88.83 164.52 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -156.28 158.01 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.594 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -92.59 110.8 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.58 -35.74 1.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.417 ' HE3' ' HG3' ' A' ' 53' ' ' LYS . 16.0 ptm -53.9 170.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -110.15 155.13 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 50' ' ' VAL . 37.5 t -120.0 125.48 74.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -95.15 122.07 37.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.634 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -113.3 133.34 55.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.8 mmm -134.42 127.43 31.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.31 -165.47 34.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.591 ' C ' HG22 ' A' ' 43' ' ' VAL . 69.1 m -148.65 163.98 35.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . -125.55 40.44 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 38.94 89.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ASP . . . -40.41 138.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 83' ' ' PRO . 0.2 OUTLIER -82.05 163.54 52.61 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD2' HD23 ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 68.01 5.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -150.19 175.37 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -138.64 67.12 43.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 133.91 17.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.55 115.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.15 -59.98 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.04 143.38 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 90' ' ' THR . 3.5 m -128.75 76.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.2 p -158.55 168.55 26.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -162.71 97.56 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -41.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.61 151.93 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t -152.21 96.59 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.57 -58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.03 124.97 4.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 142.87 14.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 -48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.27 94.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.16 119.78 2.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.7 m-85 -103.67 163.0 12.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -130.42 120.88 24.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 73' ' ' VAL . 19.9 m -127.4 172.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 m -110.53 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 37' ' ' LEU . 4.4 t -89.5 123.73 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.09 111.78 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 16.5 t90 -123.66 101.01 7.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.53 -129.7 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -59.68 -34.06 72.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.9 mm-40 -66.09 142.97 57.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -138.27 137.23 37.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -138.24 111.71 8.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -113.79 125.27 53.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.11 54.11 1.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 153.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.04 107.37 19.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.858 HD21 ' SD ' ' A' ' 67' ' ' MET . 1.6 tp -118.97 139.22 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -129.85 139.12 51.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -98.38 -34.4 10.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -25.86 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.93 -179.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.94 166.88 28.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -16.14 20.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.9 mmm -60.01 -32.99 71.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 88.0 t -63.61 -62.43 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CD1' HD13 ' A' ' 24' ' ' LEU . 69.7 t80 -47.17 -34.34 6.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -79.84 -30.06 40.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.31 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.44 -52.01 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 40' ' ' LEU . 1.4 mt -44.77 -31.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -58.63 -46.76 86.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.78 -5.52 55.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 37' ' ' LEU . 96.0 mt -95.94 -45.55 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 HG21 ' CE ' ' A' ' 75' ' ' MET . 70.0 p -106.85 -63.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.32 -10.13 4.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 48' ' ' GLN . 98.7 t -83.78 135.1 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.561 ' HG3' ' CE2' ' A' ' 38' ' ' PHE . 18.7 mp0 -52.77 159.5 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -44.82 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -79.81 -23.82 41.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.601 ' HG3' HG12 ' A' ' 43' ' ' VAL . 16.0 mt-30 -67.49 92.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -71.22 93.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 57' ' ' LEU . 83.3 t -84.32 101.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.51 170.74 15.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.9 t -136.23 156.07 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 4.0 mmpt? -33.2 -41.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.38 44.42 0.5 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.27 -168.9 37.08 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.9 m -126.39 147.16 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -76.0 130.35 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -75.16 -175.66 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -126.51 -47.93 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.65 -51.12 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -165.73 160.57 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.736 ' CH2' HD11 ' A' ' 24' ' ' LEU . 73.8 m95 -66.65 -64.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.15 46.4 3.33 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.89 56.37 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.457 HD12 ' HE3' ' A' ' 62' ' ' TRP . 53.8 mt -82.65 142.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.45 83.64 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.858 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.05 153.28 18.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -136.9 164.94 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -111.02 110.02 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 126.18 -23.31 5.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.92 130.01 50.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 10' ' ' VAL . 55.0 t -106.32 130.22 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -99.29 139.77 34.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.757 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.2 tmm? -129.25 147.36 51.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.39 129.4 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.03 170.55 18.79 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 43' ' ' VAL . 54.5 m -133.0 151.17 52.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.44 80.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.75 96.07 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.18 156.92 10.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.83 155.98 92.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.38 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.51 48.41 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.91 140.54 37.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.15 31.97 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.64 121.16 39.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.88 137.28 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -172.71 -61.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.2 m -43.68 145.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -46.06 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -112.75 -147.51 10.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.65 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -171.58 94.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.36 78.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.42 123.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -164.58 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 111.73 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -150.17 173.45 13.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 m -66.48 -57.49 7.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.28 116.16 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 6' ' ' SER . 52.2 m-85 -102.55 152.85 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.87 118.98 35.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.0 m -127.01 175.48 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.2 m -119.3 124.22 46.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD2' ' A' ' 37' ' ' LEU . 26.4 t -89.87 125.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 109.73 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' GLU . 17.7 t90 -117.47 94.95 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.22 -130.72 1.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -54.47 -35.92 63.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 53.8 mm-40 -71.87 147.03 47.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -143.06 134.57 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.361 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 87.9 m-85 -133.48 111.02 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 11' ' ' THR . 16.4 mt-10 -115.42 123.33 48.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.07 48.62 0.93 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG13 ' NE2' ' A' ' 36' ' ' GLN . 71.6 t -101.65 125.26 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -71.42 121.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -127.02 137.84 53.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -130.07 143.41 50.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 p -95.28 -22.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.448 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -53.07 -24.98 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -106.47 177.76 1.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.5 Cg_endo -74.98 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.03 -5.64 17.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 23.0 mtp -77.21 -29.71 54.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.2 t -64.29 -61.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.773 ' CD1' HD13 ' A' ' 24' ' ' LEU . 84.0 t80 -48.81 -32.65 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 51.4 mttt -80.6 -27.07 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -30.46 70.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.815 ' NE2' HG13 ' A' ' 22' ' ' VAL . 52.1 tt0 -77.93 -46.6 20.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mt -52.18 -31.5 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.32 -6.16 48.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.802 HD11 HE21 ' A' ' 36' ' ' GLN . 18.7 mt -97.0 -42.0 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 75' ' ' MET . 36.4 p -106.31 -55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.84 -28.17 4.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 HG22 ' C ' ' A' ' 78' ' ' SER . 57.8 t -66.67 131.82 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -46.96 155.02 0.66 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.84 8.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.4 -46.23 5.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 10.6 mpt_? -79.0 -28.23 43.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' HE1' ' A' ' 75' ' ' MET . 9.3 mt-30 -54.66 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -76.23 92.88 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 HD12 ' A' ' 57' ' ' LEU . 44.5 t -88.93 106.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 170.85 15.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 14.9 t -136.07 156.44 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.3 mtpt -34.02 -37.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -161.24 42.29 0.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -173.5 -169.54 35.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -128.31 147.3 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -74.81 121.77 22.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.4 -170.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.44 -45.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -57.61 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -156.21 163.72 39.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.738 ' CH2' HD11 ' A' ' 24' ' ' LEU . 65.0 m95 -70.27 -61.69 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.76 56.28 1.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 47.68 64.19 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 0.796 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.703 HD12 ' HE3' ' A' ' 62' ' ' TRP . 55.2 mt -84.35 138.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -72.2 81.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.634 ' HE2' HD21 ' A' ' 24' ' ' LEU . 78.4 mmm -100.86 143.14 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -137.22 149.66 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -81.36 104.56 11.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.48 -24.85 3.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.93 178.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.39 139.45 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -111.7 124.32 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -99.7 126.25 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.7 tmm? -115.67 146.78 41.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.47 127.29 15.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.9 175.14 32.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.454 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -133.28 158.02 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.009 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.28 99.37 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -121.01 101.13 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.38 162.46 37.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.657 HD23 ' HD2' ' A' ' 83' ' ' PRO . 0.5 OUTLIER -89.23 146.1 35.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.657 ' HD2' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.98 66.03 6.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.62 89.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -118.91 91.31 42.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 111.39 3.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.0 m 61.9 134.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.27 90.46 3.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -171.85 103.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -56.4 117.53 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -62.8 167.86 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.24 119.11 1.54 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -44.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -172.21 155.53 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.73 155.48 36.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m 64.35 86.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 0.734 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -54.24 123.65 13.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.72 -116.16 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.71 79.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.536 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.9 m -175.24 -54.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 115.67 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB2' HD23 ' A' ' 24' ' ' LEU . 60.5 m-85 -94.89 166.64 11.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.65 117.55 29.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 71' ' ' MET . 23.7 m -129.12 173.98 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -117.42 133.15 56.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 37' ' ' LEU . 31.9 t -97.71 125.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.25 111.65 19.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.599 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.1 t90 -124.91 98.57 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.21 -128.68 1.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -60.95 -33.44 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.715 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 14' ' ' TRP . 38.6 mm-40 -69.3 142.11 54.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -143.54 131.43 21.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -129.89 110.91 12.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -106.02 130.37 53.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.97 54.8 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.2 t -100.85 135.25 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -82.23 130.88 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -134.14 150.08 51.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -130.32 147.6 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 p -112.57 -25.95 8.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -58.03 -24.51 58.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.97 -177.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 164.45 33.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.676 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -9.05 20.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.5 mtp -66.82 -32.28 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 96.7 t -64.34 -60.0 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.709 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.9 t80 -46.78 -36.92 7.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.1 mttt -76.75 -30.15 56.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.44 -29.45 67.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -78.54 -47.4 17.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.812 ' CD2' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -56.34 -32.55 64.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.89 -32.58 67.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.02 -10.45 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD12 ' CD2' ' A' ' 37' ' ' LEU . 28.0 mt -84.57 -44.16 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.599 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 39.6 p -107.82 -54.35 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.33 -1.87 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG22 ' N ' ' A' ' 79' ' ' ALA . 40.2 t -86.39 139.61 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -52.68 156.07 3.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.55 8.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.33 -50.31 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 47' ' ' ARG . 6.2 mpt_? -70.72 -30.16 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 19.2 mt-30 -57.61 97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -76.36 94.7 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 HD12 ' A' ' 57' ' ' LEU . 22.1 t -91.9 102.97 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 170.93 15.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.1 156.58 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.1 mmpt? -32.17 -42.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.85 44.97 0.51 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.13 -167.72 36.51 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.1 m -125.96 140.44 52.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.222 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -66.24 116.99 7.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -59.21 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' MET . 4.4 m-20 -127.52 -47.45 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -53.38 47.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.72 160.08 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 1.222 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 57.5 m95 -68.76 -50.22 52.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.39 -114.59 4.98 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -122.69 41.34 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.7 mt -72.2 141.42 16.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 77.6 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 96.8 mmm -81.01 158.93 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.85 176.62 12.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -108.53 114.42 28.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.59 -32.38 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.2 ptm -52.32 170.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -114.66 140.11 49.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.404 HG13 HG13 ' A' ' 50' ' ' VAL . 22.6 t -107.99 117.06 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 75' ' ' MET . 1.8 tm? -90.32 123.52 34.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.626 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.3 ttp -115.53 123.96 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.59 125.1 43.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.92 169.61 19.01 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.113 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' ALA . 2.3 p -138.82 128.93 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.717 ' N ' HG22 ' A' ' 43' ' ' VAL . . . -46.54 -94.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -141.34 96.16 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 61.54 171.28 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -46.11 111.25 1.39 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -174.9 2.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.71 86.28 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -91.66 139.28 24.91 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.94 -59.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.85 179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.6 61.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.97 133.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -67.89 150.52 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.81 154.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 138.05 98.03 0.45 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.09 17.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m 63.66 89.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.3 p -113.29 159.69 19.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -64.73 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -137.62 -61.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -132.09 9.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -142.46 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.5 m -104.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 8' ' ' TYR . . . 59.9 140.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.617 ' HB2' HD23 ' A' ' 24' ' ' LEU . 24.3 m-85 -142.76 172.25 12.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.86 119.99 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.586 HG12 ' HG2' ' A' ' 71' ' ' MET . 33.9 m -129.03 174.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -118.61 122.39 42.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG21 ' CD2' ' A' ' 37' ' ' LEU . 24.1 t -89.51 126.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 116.1 25.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.5 t90 -128.77 100.7 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.98 -130.79 1.06 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -57.84 -34.88 70.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.5 mm-40 -66.27 143.17 57.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -142.92 130.9 21.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -132.0 111.46 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -114.05 123.09 48.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.79 47.97 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.67 145.52 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -90.98 131.22 36.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -139.13 138.02 36.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -129.89 142.6 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TYR . 37.9 p -95.69 -24.26 16.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -51.57 -22.4 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -111.98 175.52 1.84 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.233 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.07 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.73 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.0 -11.68 21.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.8 mtp -65.96 -36.64 83.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.6 -57.99 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.716 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.2 t80 -52.22 -31.0 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -81.76 -27.05 33.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.64 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -80.13 -44.95 19.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 40' ' ' LEU . 3.6 mt -55.02 -32.02 61.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' NE2' ' A' ' 44' ' ' GLN . 1.6 t80 -57.82 -34.25 69.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.44 -10.59 40.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 HD22 ' A' ' 37' ' ' LEU . 6.9 mt -79.71 -47.3 15.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 34.4 p -111.87 -66.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 151.07 -19.91 0.96 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 ' HG3' ' A' ' 48' ' ' GLN . 44.6 t -67.7 142.26 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 mm-40 -65.2 156.89 79.7 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.07 8.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.564 1.823 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.97 -29.72 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -97.94 -30.74 12.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.511 ' HG3' HG12 ' A' ' 43' ' ' VAL . 24.1 mt-30 -54.81 99.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -75.37 93.1 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 HD12 ' A' ' 57' ' ' LEU . 53.3 t -89.42 101.48 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.83 170.59 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.3 t -135.85 156.12 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.2 mmpt? -33.09 -40.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.13 43.69 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.8 -168.53 36.25 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 m -127.02 141.94 51.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.917 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -64.93 122.05 16.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.04 -172.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 68.7 m-20 -128.91 -49.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -63.06 -49.83 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -164.71 159.64 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.917 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 62.5 m95 -65.76 -46.72 77.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.81 -93.1 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -153.02 38.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.78 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 70.0 mt -69.79 140.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -82.26 73.35 9.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 93.9 mmm -79.13 146.63 33.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -143.86 168.03 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -101.6 114.21 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 138.48 -36.74 1.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.586 ' HG2' HG12 ' A' ' 10' ' ' VAL . 12.5 ptm -51.55 172.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -116.4 142.45 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.25 124.41 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -93.93 122.02 36.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.644 ' N ' HD13 ' A' ' 74' ' ' LEU . 1.9 ttp -114.48 132.34 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -135.9 132.54 36.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.16 172.59 21.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 p -134.24 144.54 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.74 95.51 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.3 t70 -97.43 26.95 4.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' ASP . . . 68.61 128.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -74.51 149.1 86.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 76.85 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.9 OUTLIER 178.13 154.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.48 148.6 34.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.81 42.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.24 127.15 11.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.88 84.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -44.23 132.32 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 m -70.36 133.12 46.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.4 m 61.47 97.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.18 -95.52 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -28.73 9.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.538 1.81 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.4 p -67.79 132.55 47.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.08 146.27 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.4 142.07 16.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.32 -57.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.14 -131.02 2.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m 59.99 74.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.05 65.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 127.42 6.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.587 ' HB2' HD23 ' A' ' 24' ' ' LEU . 71.0 m-85 -113.18 155.89 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.6 116.64 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -124.29 174.36 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -117.43 126.46 52.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 37' ' ' LEU . 11.4 t -89.68 119.58 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.21 116.45 31.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.0 t90 -123.58 94.94 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.04 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.64 -131.68 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -36.13 63.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 75.0 mm-40 -69.51 146.19 52.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -135.3 141.29 45.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE2' HG22 ' A' ' 41' ' ' THR . 93.8 m-85 -136.89 113.91 10.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -118.18 123.06 44.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.99 52.58 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG13 HE22 ' A' ' 36' ' ' GLN . 88.1 t -100.71 134.48 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.18 132.4 35.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -141.81 137.63 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -129.64 145.87 51.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' GLU . 15.3 p -98.85 -34.69 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.575 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -102.64 -177.12 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.03 171.0 19.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.04 -29.15 8.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.3 mmm -48.48 -46.7 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -48.12 -51.52 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.7 t80 -57.39 -26.58 61.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 45' ' ' PRO . 14.7 mmtm -85.42 -35.07 21.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.22 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.678 HE22 HG13 ' A' ' 22' ' ' VAL . 4.5 tt0 -83.0 -49.91 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.988 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -48.81 -27.71 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.4 OUTLIER -60.05 -47.02 87.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 -5.99 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.988 HD12 HD22 ' A' ' 37' ' ' LEU . 9.3 mt -82.37 -54.97 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.55 HG22 ' CE2' ' A' ' 19' ' ' PHE . 17.6 p -108.11 -57.64 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' OG1' ' A' ' 41' ' ' THR . . . 140.44 -12.65 2.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.577 1.173 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.604 HG22 ' C ' ' A' ' 78' ' ' SER . 41.9 t -76.32 141.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 19.6 mp0 -61.08 159.45 28.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.556 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 2.92 6.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.85 -39.9 7.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mtm180 -82.35 -36.63 26.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 29.6 mt-30 -56.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -72.14 92.45 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG13 ' CG1' ' A' ' 73' ' ' VAL . 46.7 t -85.53 101.41 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.48 170.93 15.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.575 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -133.96 157.05 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -26.37 -54.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.02 49.44 0.6 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 176.56 -171.31 44.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -122.87 138.67 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.07 HD21 ' CE3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -67.73 139.65 56.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -76.16 -171.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -126.08 -44.56 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -63.95 -50.59 68.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -164.68 157.49 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 1.07 ' CE3' HD21 ' A' ' 57' ' ' LEU . 69.9 m95 -61.47 -48.16 82.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.52 -69.49 1.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -176.83 48.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.4 mt -83.63 141.0 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -81.14 105.55 12.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.592 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.7 mtp -100.66 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -138.19 152.32 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.163 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.16 104.15 16.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.8 -25.92 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.91 138.13 51.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.556 ' CG1' HG13 ' A' ' 50' ' ' VAL . 40.6 t -111.87 124.77 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -92.54 132.45 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.0 ttp -121.95 126.9 49.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.87 122.43 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.62 168.68 28.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.604 ' C ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -119.98 170.56 9.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 0.783 . . . . 0.0 109.972 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.23 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.84 102.64 12.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.01 125.17 49.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mt -50.06 126.64 20.45 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.31 29.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.4 152.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.32 92.03 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.41 4.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.61 124.63 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.98 163.59 12.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.7 m -94.21 149.17 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.1 m -129.94 167.04 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 157.36 27.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -81.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.87 -176.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.3 m -95.19 172.88 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 120.71 40.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.92 131.13 54.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.01 86.59 0.27 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.46 -60.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.95 74.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.76 122.13 1.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.6 ' HB2' HD23 ' A' ' 24' ' ' LEU . 41.6 m-85 -111.39 151.33 28.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.86 115.23 24.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 HG12 ' HG2' ' A' ' 71' ' ' MET . 25.5 m -123.04 176.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -120.11 130.39 54.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG21 ' CD2' ' A' ' 37' ' ' LEU . 54.7 t -93.59 131.84 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -118.49 110.65 17.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 16.3 t90 -121.78 94.92 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 35.5 -133.2 0.62 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -51.91 -37.68 53.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' TRP . 72.8 mm-40 -68.37 145.29 54.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -142.03 139.92 32.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -137.97 113.46 9.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -114.51 122.21 45.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.18 49.72 1.04 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.409 HG13 HE21 ' A' ' 36' ' ' GLN . 98.6 t -91.94 144.21 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.79 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.2 122.95 32.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -132.13 137.61 47.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.83 140.89 50.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -99.53 -25.36 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 34.9 t0 -55.17 -19.64 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.02 -179.37 0.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -74.95 169.03 23.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -12.61 21.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 3.0 mtp -62.85 -34.22 76.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ALA . 48.1 t -65.69 -60.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 24' ' ' LEU . 74.8 t80 -49.71 -30.96 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -83.78 -24.49 31.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.41 -36.29 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' N ' ' A' ' 38' ' ' PHE . 1.6 tt0 -70.95 -49.65 43.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.896 HD22 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -47.16 -25.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -65.25 -46.26 81.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.73 -5.33 58.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.896 HD12 HD22 ' A' ' 37' ' ' LEU . 21.8 mt -84.24 -52.48 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.543 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 20.8 p -107.42 -50.91 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.21 -0.58 6.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.1 t -87.06 147.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 27.6 mp0 -63.84 157.55 66.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 1.24 7.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.66 -39.49 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -79.97 -37.77 33.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' HG2' ' CE ' ' A' ' 75' ' ' MET . 30.4 mt-30 -55.7 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -76.17 92.94 3.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' HE2' ' A' ' 33' ' ' PHE . 19.1 t -86.82 102.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 170.93 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' A' ' 53' ' ' LYS . 22.0 t -135.99 156.5 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -30.1 -49.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.11 48.99 0.57 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.69 -172.38 45.06 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.0 m -123.61 144.55 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -71.46 128.96 37.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -73.84 -177.87 2.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.9 m-20 -120.55 -46.13 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.84 -61.48 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -153.71 158.42 40.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.726 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 68.1 m95 -65.51 -61.46 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.69 -131.16 10.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -96.98 53.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.7 mt -98.62 131.34 45.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.81 109.53 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.5 mmm -113.56 166.95 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -157.94 158.64 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' OD1' ' CD2' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -90.9 114.54 27.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.03 -37.35 1.78 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.42 ' HG2' HG12 ' A' ' 10' ' ' VAL . 15.8 ptm -51.98 171.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -114.94 137.58 51.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.64 ' CG1' HG13 ' A' ' 50' ' ' VAL . 51.4 t -106.5 126.75 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD13 ' N ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -93.55 130.62 39.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.678 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.4 ttp -119.16 132.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -140.49 117.93 11.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.96 162.59 23.57 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -115.4 150.27 36.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . -119.31 92.45 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -45.48 115.68 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.0 108.13 7.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.14 163.56 61.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 60.37 5.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.1 153.63 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.3 mt-10 -97.46 129.14 32.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 85' ' ' GLU . 18.2 Cg_endo -75.04 177.21 8.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.2 167.06 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.57 170.38 9.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.11 158.37 27.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.2 m 61.67 125.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.7 p -151.12 157.25 42.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.4 85.18 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.54 166.53 24.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t 61.37 120.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -120.58 -58.0 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.11 -57.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 114.29 4.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.28 156.29 45.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 2.7 m -67.03 -53.1 34.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.33 114.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 24' ' ' LEU . 66.9 m-85 -93.51 165.48 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.54 45.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG12 ' CG ' ' A' ' 71' ' ' MET . 30.6 m -133.11 174.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.3 m -119.82 122.23 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 37' ' ' LEU . 5.6 t -89.5 122.66 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.85 110.5 19.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 14.4 t90 -117.98 95.38 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.03 -130.68 1.09 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -37.28 57.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 18.4 mm-40 -70.7 146.47 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -142.53 137.82 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' HG22 ' A' ' 41' ' ' THR . 57.3 m-85 -137.26 116.18 12.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG23 ' A' ' 11' ' ' THR . 7.3 mt-10 -120.64 124.66 45.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 46.83 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG1' ' OE1' ' A' ' 36' ' ' GLN . 97.2 t -97.1 147.07 6.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -89.29 127.41 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.3 tp -129.48 141.19 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -129.6 140.52 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.2 p -102.17 -29.03 11.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.376 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -51.78 -27.45 12.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -104.27 -178.39 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.56 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.0 166.62 28.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.08 20.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.41 ' HE3' ' OD2' ' A' ' 59' ' ' ASP . 8.0 mtp -64.4 -29.45 70.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ALA . 66.9 t -66.27 -60.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.682 ' CD1' HD13 ' A' ' 24' ' ' LEU . 88.4 t80 -49.46 -30.68 8.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HG2' HG21 ' A' ' 50' ' ' VAL . 91.0 mttt -82.72 -26.89 31.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -69.1 -36.69 77.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.498 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 8.1 tt0 -70.3 -49.55 48.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mt -47.95 -26.24 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HD3' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -61.59 -36.15 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.64 -4.38 53.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 14.2 mt -99.2 -45.99 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.519 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 40.6 p -105.0 -55.87 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 127.66 -28.42 4.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 48' ' ' GLN . 58.6 t -67.86 137.52 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -54.5 160.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -75.01 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.26 -48.22 4.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -76.82 -24.17 52.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 43' ' ' VAL . 15.3 mt-30 -65.93 92.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -68.93 92.53 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG11 HD12 ' A' ' 57' ' ' LEU . 99.0 t -85.05 101.02 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.12 170.13 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.9 t -137.25 156.57 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 52' ' ' VAL . 8.9 mmtm -29.47 -49.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.71 48.49 0.55 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 177.11 -168.06 39.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.6 m -125.74 143.87 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.068 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 2.0 mt -70.71 133.47 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -72.74 -176.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HE3' ' A' ' 31' ' ' MET . 12.0 t70 -124.77 -44.9 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.02 -54.11 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -163.33 155.7 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 1.068 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 66.6 m95 -61.25 -58.22 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.006 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.04 47.62 4.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 57.2 76.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' A' ' 62' ' ' TRP . 21.4 mt -101.39 142.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -76.15 80.75 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.6 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 3.8 mtp -89.19 148.16 23.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.81 149.7 50.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 104.06 16.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.69 -24.96 3.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.49 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.55 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 0.802 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.19 135.04 47.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.84 124.71 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 75' ' ' MET . 1.2 tm? -96.32 123.32 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.685 ' N ' HD13 ' A' ' 74' ' ' LEU . 5.4 tmm? -119.17 148.15 43.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 mmm -134.41 144.39 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.06 -162.15 29.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.69 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -154.75 -56.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 0.809 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . 84.59 -7.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 57.8 112.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -157.57 155.25 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.94 163.11 19.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.98 37.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 68.13 80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.52 148.84 45.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.73 14.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -41.34 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.34 172.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 172.72 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 t -145.13 158.41 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.391 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.88 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -65.78 -176.9 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.4 t 64.95 135.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.8 t -122.48 144.5 49.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -130.96 162.41 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 p -138.25 140.23 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.54 -92.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -52.38 -72.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -87.8 -49.68 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.5 114.8 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 24' ' ' LEU . 72.2 m-85 -96.47 166.06 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.64 122.29 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.955 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 71' ' ' MET . 32.7 m -129.21 174.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -117.9 123.48 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.85 125.68 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.11 114.03 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.579 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 11.6 t90 -129.02 110.49 12.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -37.8 133.48 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 90.83 -24.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -131.18 168.52 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -143.42 134.29 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CE2' HG22 ' A' ' 41' ' ' THR . 70.8 m-85 -137.84 111.26 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -122.05 123.5 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.41 65.3 1.06 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.13 152.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.33 122.46 33.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD21 ' SD ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -134.14 141.43 47.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 28.9 t30 -128.85 147.02 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' HD1' ' A' ' 8' ' ' TYR . 38.2 p -104.01 -23.83 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -55.11 -25.4 31.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.541 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -108.14 -179.37 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.97 166.74 28.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -13.63 21.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.422 1.748 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.29 -35.57 77.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 57.3 t -61.39 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' HD13 ' A' ' 24' ' ' LEU . 78.1 t80 -45.44 -34.69 3.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.596 1.185 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 74.9 mttt -78.11 -34.88 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.14 -28.92 68.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.31 -45.69 25.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -49.36 -30.65 8.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 t80 -55.44 -48.15 74.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.31 -5.27 48.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 37' ' ' LEU . 8.6 mt -89.58 -39.52 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.579 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 64.8 p -123.55 -50.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 123.11 10.16 5.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.964 HG22 ' HB2' ' A' ' 79' ' ' ALA . 50.7 t -94.11 153.86 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -69.58 156.18 92.15 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.02 1.0 8.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.5 -28.47 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.66 -38.03 16.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' HG3' HG12 ' A' ' 43' ' ' VAL . 30.3 mt-30 -59.8 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -69.39 92.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 73' ' ' VAL . 97.5 t -83.35 103.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.35 170.19 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' LYS . 15.7 t -135.84 156.27 37.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -32.95 -40.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.7 44.17 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -176.14 -167.74 35.37 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.6 m -123.79 145.66 48.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -79.41 119.93 23.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -57.57 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.82 19.2 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -130.12 -61.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -152.76 142.26 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.687 ' CH2' HD11 ' A' ' 24' ' ' LEU . 35.4 m95 -61.64 -81.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.0 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 62' ' ' TRP . . . 31.61 72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 0.9 OUTLIER 162.39 -66.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.4 mt -72.08 129.06 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -93.48 68.69 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.7 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.12 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -161.93 152.56 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -84.01 124.84 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.57 -41.09 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.52 ' HG2' HG12 ' A' ' 10' ' ' VAL . 14.8 ptm -53.07 172.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -120.93 142.38 49.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG13 HG13 ' A' ' 50' ' ' VAL . 43.2 t -108.48 126.88 65.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -104.17 127.84 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.3 ttp -118.08 129.66 55.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.78 116.24 24.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.51 -129.95 1.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 171.95 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.964 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 67.86 78.53 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.79 97.57 5.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 82' ' ' LEU . . . -139.44 160.68 39.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 56.59 159.91 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.47 150.32 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -51.48 -55.38 29.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 85' ' ' GLU . 18.3 Cg_endo -74.98 158.26 42.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -23.99 21.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' LYS . . . -103.25 -72.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.1 tmtm? 84.41 -75.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 t -116.39 -34.91 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.06 79.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.38 -165.57 10.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -51.89 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m 47.18 79.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 82.8 p -154.26 147.32 24.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.25 85.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 39.77 79.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 -165.26 37.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.062 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.28 96.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -125.83 -52.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.37 116.06 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.459 ' HB2' HD23 ' A' ' 24' ' ' LEU . 54.0 m-85 -97.83 161.59 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.75 111.45 19.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.3 m -121.04 172.82 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -112.15 146.62 37.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.18 131.19 64.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 116.37 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.61 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.4 t90 -132.08 100.89 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 40.21 -128.25 2.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -30.48 70.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 2.6 mt-10 -64.24 146.07 54.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -143.14 130.84 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -133.73 110.78 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -112.08 124.1 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.44 47.96 1.25 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 HE21 ' A' ' 36' ' ' GLN . 82.0 t -92.96 136.84 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -78.59 130.4 35.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD11 ' CH2' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -138.82 137.47 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -129.96 139.06 51.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -96.08 -35.36 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.81 -25.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -105.52 -179.51 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -74.99 165.59 31.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -11.44 21.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.419 ' CE ' ' HB2' ' A' ' 59' ' ' ASP . 4.4 mtp -64.58 -34.67 78.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ALA . 83.4 t -61.42 -61.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 24' ' ' LEU . 77.8 t80 -49.6 -33.5 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 40.6 mttt -81.98 -23.28 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -72.02 -32.59 67.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.497 HE21 HG13 ' A' ' 22' ' ' VAL . 2.1 tt0 -76.89 -53.22 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD22 HD12 ' A' ' 40' ' ' LEU . 1.1 mt -42.46 -29.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -61.4 -48.57 80.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -76.58 -5.01 45.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.782 HD12 HD22 ' A' ' 37' ' ' LEU . 29.1 mt -87.06 -49.34 7.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.61 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.9 p -108.88 -46.07 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.433 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 116.88 21.17 4.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 47' ' ' ARG . 69.7 t -108.28 133.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.76 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 38' ' ' PHE . 25.2 mp0 -56.67 152.97 23.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 13.41 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 44' ' ' GLN . . . -119.42 0.01 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 5.9 mmt180 -117.27 -40.03 3.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -66.11 118.52 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -89.72 90.81 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG11 HD12 ' A' ' 57' ' ' LEU . 48.0 t -81.13 106.84 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.91 170.86 13.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.7 t -135.57 156.34 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 52' ' ' VAL . 6.7 mmmt -32.21 -45.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.81 45.86 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -178.05 -169.69 39.27 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 m -126.71 140.63 52.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.76 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -65.26 115.07 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -66.47 -172.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.419 ' HB2' ' CE ' ' A' ' 31' ' ' MET . 5.0 p-10 -126.08 -45.7 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.07 -58.57 7.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -157.79 158.82 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 61.6 m95 -66.34 -63.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.58 -86.49 0.43 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -157.5 56.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.2 mt -87.69 138.25 19.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.43 74.82 9.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.585 ' SD ' ' CZ3' ' A' ' 62' ' ' TRP . 1.2 mtp -72.44 149.06 44.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.8 152.92 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -92.51 109.79 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.41 -32.04 2.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.96 140.53 51.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.583 ' CG1' HG13 ' A' ' 50' ' ' VAL . 55.8 t -110.0 130.08 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.2 tm? -98.37 126.01 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.405 ' N ' HD13 ' A' ' 74' ' ' LEU . 4.5 ttp -117.76 125.02 49.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.28 118.45 22.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.18 177.18 48.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.5 m -145.21 124.12 12.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.27 74.21 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -67.02 103.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.57 77.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 83' ' ' PRO . 1.0 OUTLIER -64.17 155.95 77.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' O ' HD12 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.99 129.24 12.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -109.27 37.77 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -78.18 -54.54 1.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.1 Cg_endo -75.01 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.04 -23.21 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 54.57 174.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.0 79.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -118.22 103.18 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.0 p -160.81 153.93 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -124.17 96.71 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.47 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.19 151.23 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 t 63.35 131.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.936 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.153 . . . . 0.0 110.97 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 4' ' ' GLY . 59.1 p -128.47 114.82 17.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 64.38 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 96.45 -84.31 0.82 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 45.46 77.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.593 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.5 p -164.32 -57.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 116.6 0.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' SER . 65.1 m-85 -97.98 162.88 13.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -121.18 114.54 21.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.942 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.78 173.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 19' ' ' PHE . 1.5 m -114.48 126.53 55.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' LEU . 55.5 t -89.61 124.09 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -113.83 109.97 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 15.8 t90 -124.79 110.95 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -39.22 133.34 1.82 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 90.7 -27.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.0 mm-40 -125.25 168.31 13.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -143.46 131.09 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' O ' HG23 ' A' ' 11' ' ' THR . 73.4 m-85 -136.13 118.6 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -121.34 129.22 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.13 61.76 1.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 12' ' ' VAL . 95.7 t -96.07 153.18 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -89.74 128.77 36.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -141.66 141.56 33.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.66 147.88 51.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 p -105.39 -32.82 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -46.03 -31.0 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.591 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -101.95 -176.51 0.47 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.96 -26.81 10.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.6 mtp -53.41 -44.78 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -48.83 -52.19 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD1' HD13 ' A' ' 24' ' ' LEU . 62.4 t80 -54.53 -29.58 51.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.741 ' HE3' HD13 ' A' ' 57' ' ' LEU . 4.9 mmtp -80.05 -32.57 39.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.82 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -76.96 -48.13 18.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 40' ' ' LEU . 4.0 mt -52.04 -29.9 23.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' OE1' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -53.94 -46.07 71.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 -12.17 59.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 37' ' ' LEU . 5.3 mt -82.16 -48.19 11.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.62 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 29.0 p -113.08 -62.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 38' ' ' PHE . . . 140.07 -11.94 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.86 ' CG2' ' HB2' ' A' ' 79' ' ' ALA . 56.7 t -73.31 135.66 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -53.9 159.89 2.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.59 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 -2.04 12.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.38 -30.68 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.516 ' CZ ' HD11 ' A' ' 82' ' ' LEU . 4.5 mtt180 -102.7 20.33 17.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' HG3' HG12 ' A' ' 43' ' ' VAL . 6.9 mt-30 -107.62 99.71 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 76' ' ' MET . 0.0 OUTLIER -68.82 129.86 41.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG21 ' HE2' ' A' ' 34' ' ' LYS . 48.1 t -128.58 110.28 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.15 171.12 14.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.519 ' O ' ' C ' ' A' ' 53' ' ' LYS . 20.6 t -141.68 156.81 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 52' ' ' VAL . 1.8 mttm -31.37 -43.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.56 46.06 0.5 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -179.92 -167.53 37.22 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' HG23 ' A' ' 52' ' ' VAL . 52.7 m -127.87 140.72 51.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.35 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.741 HD13 ' HE3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -62.41 132.42 52.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -71.99 -171.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -129.23 -45.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.58 -56.25 13.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -156.85 155.03 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 73.1 m95 -61.4 -57.77 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.4 -98.64 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -139.55 51.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HE3' ' A' ' 62' ' ' TRP . 98.0 mt -81.45 141.33 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -92.01 76.09 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.688 ' SD ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -75.48 149.3 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 151.17 31.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 8' ' ' TYR . 8.7 m-20 -87.61 113.76 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.55 -32.34 2.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -124.73 145.97 49.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.4 t -121.98 122.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 75' ' ' MET . 2.8 tm? -96.6 135.61 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -121.83 127.49 50.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HB2' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -113.05 116.1 29.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.01 -170.1 40.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -136.69 -49.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.86 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . 70.09 78.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -153.4 27.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 60.14 161.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD11 ' CZ ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -76.96 138.51 65.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 55.45 3.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 42.32 77.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 113.71 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 87' ' ' SER . 18.2 Cg_endo -75.05 -57.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER 78.72 -54.42 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 57.25 79.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.1 -64.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -65.85 153.98 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -161.23 158.76 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 164.8 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.8 t -114.8 -58.56 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -110.99 124.51 52.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.84 -70.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 130.23 6.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -117.91 -45.83 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER 178.46 76.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 120.47 6.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.788 ' HB2' HD23 ' A' ' 24' ' ' LEU . 19.2 m-85 -100.89 157.75 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -118.94 119.7 35.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 71' ' ' MET . 29.1 m -128.29 173.82 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -122.88 123.98 42.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG21 HD21 ' A' ' 37' ' ' LEU . 55.7 t -89.58 134.99 27.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.41 112.54 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' GLU . 14.7 t90 -123.03 94.92 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.6 -131.52 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -36.14 63.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 23.5 mm-40 -70.52 145.49 50.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -143.13 138.41 29.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CE2' HG22 ' A' ' 41' ' ' THR . 38.2 m-85 -138.09 111.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG23 ' A' ' 11' ' ' THR . 17.2 mt-10 -118.88 123.42 44.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.33 44.63 1.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG13 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -98.4 121.93 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.16 128.02 34.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.8 138.19 47.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 6' ' ' SER . 1.8 t-20 -129.17 146.16 51.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 4.0 p -100.61 -33.99 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -30.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -107.36 -179.1 0.65 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.04 173.26 14.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.06 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.401 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 8.1 mtp -38.3 -44.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 t -53.73 -50.76 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CD1' HD13 ' A' ' 24' ' ' LEU . 80.5 t80 -60.16 -23.51 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.981 ' HE2' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.05 -23.66 21.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.33 62.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.881 HE21 HD11 ' A' ' 40' ' ' LEU . 49.2 tt0 -83.74 -52.74 6.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 ' CD2' HD12 ' A' ' 40' ' ' LEU . 4.6 mt -48.3 -29.06 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.449 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 1.6 t80 -59.21 -34.6 72.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.37 -4.59 48.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.881 HD11 HE21 ' A' ' 36' ' ' GLN . 19.1 mt -95.23 -50.36 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 19' ' ' PHE . 75.5 p -100.22 -40.13 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 116.26 -33.14 5.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 ' HB2' ' A' ' 79' ' ' ALA . 25.1 t -59.68 143.34 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' N ' ' OE1' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -62.9 159.17 47.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 3.95 5.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.99 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.65 -27.29 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -103.83 29.08 6.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.42 ' OE1' ' SD ' ' A' ' 75' ' ' MET . 26.7 mt-30 -109.25 108.44 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -88.39 93.37 9.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.981 HG21 ' HE2' ' A' ' 34' ' ' LYS . 2.6 t -96.13 125.46 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 166.86 10.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' LYS . 18.9 t -132.92 156.03 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' VAL . 12.6 mmtt -33.92 -38.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -158.12 41.46 0.51 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.07 -167.64 32.45 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 50' ' ' VAL . 94.2 m -133.68 144.2 49.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.624 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -66.79 128.77 37.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.12 -171.89 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -130.17 -46.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -67.19 -47.72 70.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -167.16 154.03 8.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.714 ' CH2' HD11 ' A' ' 24' ' ' LEU . 66.9 m95 -58.29 -57.99 10.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.68 -93.42 1.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -142.26 49.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.5 mt -82.15 142.39 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -92.27 76.98 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 98.5 mmm -86.99 146.09 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -142.18 157.14 45.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.53 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p30 -89.71 119.13 29.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 122.03 -23.97 7.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -58.9 179.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 110.999 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -120.8 136.21 54.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.495 HG13 ' CG1' ' A' ' 50' ' ' VAL . 22.5 t -105.78 116.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 75' ' ' MET . 1.4 tm? -86.9 124.49 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.572 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.1 ttp -120.97 125.27 46.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.53 123.15 43.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.08 -153.67 8.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.1 m -157.6 -47.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.911 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 69.22 71.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.79 96.4 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.51 153.42 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -65.5 113.56 12.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 101.96 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.782 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -120.13 69.61 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.9 mt-10 168.5 -54.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -74.97 141.75 27.12 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.1 p -127.61 151.32 49.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.51 94.28 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.91 -63.02 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.4 m 53.88 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -59.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -51.4 118.92 7.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.64 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.41 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t -148.45 120.85 8.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.34 100.15 3.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 102.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.38 -155.25 10.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.94 -57.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.28 -15.95 61.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.29 113.97 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB2' HD23 ' A' ' 24' ' ' LEU . 53.9 m-85 -100.56 163.03 12.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' HG13 ' A' ' 10' ' ' VAL . 21.9 t -119.28 147.63 44.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 73' ' ' VAL . 33.5 m -154.77 179.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.07 123.24 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 37' ' ' LEU . 13.7 t -88.9 126.08 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -114.68 115.39 27.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 17' ' ' GLU . 13.7 t90 -129.7 99.77 5.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.004 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.51 -131.54 1.24 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -34.26 70.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.7 mm-40 -66.33 134.35 52.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.71 138.8 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.516 ' CE2' HG22 ' A' ' 41' ' ' THR . 59.0 m-85 -137.7 111.22 8.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -121.71 124.23 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.2 53.57 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.14 143.17 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -83.95 131.48 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD11 ' CH2' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -138.57 137.4 36.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -130.44 142.74 50.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 28' ' ' GLU . 10.8 p -98.79 -32.68 11.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 46.7 t0 -47.38 -24.92 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.576 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -110.1 -177.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.576 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.02 170.86 19.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.778 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.01 -29.91 7.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ALA . 2.7 mtp -45.95 -40.7 10.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' ALA . 92.0 t -54.7 -63.4 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 24' ' ' LEU . 82.4 t80 -49.98 -31.24 12.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE3' HD13 ' A' ' 57' ' ' LEU . 91.2 mttt -83.01 -23.44 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -67.62 -29.37 68.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -79.89 -48.14 13.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 ' CD2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt -47.31 -27.22 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.91 -35.15 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' GLN . . . -91.67 -8.42 47.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 36' ' ' GLN . 54.9 mt -87.47 -49.41 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.531 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 33.3 p -107.69 -58.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.33 -9.68 4.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 48' ' ' GLN . 47.3 t -78.75 145.94 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -65.78 156.31 83.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 -33.29 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.436 HH12 HD11 ' A' ' 82' ' ' LEU . 5.6 mtt85 -90.93 -32.3 16.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' HG3' HG12 ' A' ' 43' ' ' VAL . 29.6 mt-30 -59.4 95.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -73.18 94.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.886 HG11 HD12 ' A' ' 57' ' ' LEU . 52.5 t -86.66 105.52 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.15 170.48 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 53' ' ' LYS . 17.5 t -135.84 156.31 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 52' ' ' VAL . 3.5 mmpt? -33.2 -41.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -156.74 44.08 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -175.0 -173.71 41.02 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.1 m -124.7 142.83 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.105 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -63.67 126.01 26.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -67.77 -170.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -29.77 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 32.9 m-20 -169.23 84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 1.7 m-20 156.11 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 1.105 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 49.5 m95 68.25 -62.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.039 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . 100.29 178.77 30.08 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.1 60.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' GLY . 58.6 mt -100.53 134.27 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.0 108.57 18.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.474 ' CE ' HD21 ' A' ' 24' ' ' LEU . 86.9 mmm -97.92 162.25 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.82 156.48 20.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -94.36 111.48 23.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.19 -31.52 2.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.429 ' CG ' HG12 ' A' ' 10' ' ' VAL . 15.6 ptm -53.77 172.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -117.28 139.77 50.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 10' ' ' VAL . 42.5 t -105.81 126.65 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 75' ' ' MET . 0.6 OUTLIER -93.7 128.11 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.468 ' N ' HD13 ' A' ' 74' ' ' LEU . 3.8 ttp -119.04 129.5 55.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 mmm -129.77 133.0 46.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.19 19.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.0 m -139.87 118.44 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 82' ' ' LEU . . . -65.46 82.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.83 109.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 41.31 72.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 4.8 mt -130.22 122.93 20.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 66.15 6.04 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.6 99.43 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -143.33 151.33 54.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -172.68 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.75 79.55 1.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 60.6 157.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 174.08 10.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -157.1 152.66 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.407 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 t -174.54 125.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.71 97.25 0.21 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.71 12.89 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -42.41 -50.2 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -40.07 122.67 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -49.03 -24.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -171.53 15.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -148.3 -53.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 66.69 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.6 127.39 8.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.619 ' HB2' HD23 ' A' ' 24' ' ' LEU . 61.1 m-85 -109.6 158.19 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER -110.84 117.49 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG12 ' HG2' ' A' ' 71' ' ' MET . 17.4 m -127.35 -175.17 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -135.42 123.01 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 ' CD2' ' A' ' 37' ' ' LEU . 37.7 t -89.94 130.74 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.14 120.8 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE3' ' HB ' ' A' ' 41' ' ' THR . 12.7 t90 -131.77 95.9 3.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 36.49 -137.67 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -45.6 -40.22 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 0.814 . . . . 0.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CE3' ' A' ' 14' ' ' TRP . 3.2 mt-10 -67.32 137.36 55.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -133.75 135.56 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.23 112.17 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -117.86 124.21 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.21 59.91 0.97 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.6 t -105.99 146.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -96.74 121.36 38.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.36 147.61 49.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.85 147.7 52.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -106.35 -32.64 8.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -43.82 -30.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.553 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -102.8 -178.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.04 167.99 25.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.689 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 -14.36 21.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.55 1.816 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 10.3 mtp -61.6 -31.85 71.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . 87.8 t -64.62 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.798 ' CD1' HD13 ' A' ' 24' ' ' LEU . 67.7 t80 -47.38 -35.41 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 50' ' ' VAL . 37.6 mttt -76.45 -30.25 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -68.83 -37.65 79.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -68.99 -46.88 66.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -52.09 -22.51 4.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -64.2 -48.54 75.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.91 -5.22 50.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.017 HD12 HD22 ' A' ' 37' ' ' LEU . 10.2 mt -81.32 -54.23 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.597 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 11.7 p -107.54 -43.09 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 118.99 11.02 7.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.044 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.9 t -96.15 156.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLN . 21.3 mp0 -71.58 155.73 92.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD3' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 1.28 7.92 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -101.2 -47.58 4.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -75.86 -22.88 55.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 24.4 mt-30 -72.87 98.7 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -75.22 99.49 4.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 34' ' ' LYS . 48.2 t -91.84 96.77 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.79 170.85 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.574 ' O ' ' C ' ' A' ' 53' ' ' LYS . 16.8 t -138.77 156.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' C ' ' O ' ' A' ' 52' ' ' VAL . 5.8 mmtt -26.65 -55.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.13 53.72 0.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . 172.18 -176.65 45.15 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.0 m -116.73 141.71 47.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 0.742 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.853 HD21 ' CZ3' ' A' ' 62' ' ' TRP . 0.6 OUTLIER -68.44 127.42 32.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -71.82 -177.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 31' ' ' MET . 3.2 p-10 -120.83 -43.34 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -63.44 -57.51 10.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -157.01 157.47 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.853 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 60.7 m95 -64.51 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.033 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.27 46.32 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 58.26 54.46 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.673 HD12 ' HE3' ' A' ' 62' ' ' TRP . 56.8 mt -74.25 138.3 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -76.36 80.76 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.521 ' HG2' HG22 ' A' ' 65' ' ' ILE . 67.3 mmm -98.47 142.61 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -131.74 149.3 52.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.5 p30 -79.39 119.55 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.32 -20.54 8.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.582 ' HG2' HG12 ' A' ' 10' ' ' VAL . 17.1 ptm -58.1 165.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 m -113.91 135.96 53.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' HG13 ' A' ' 50' ' ' VAL . 50.9 t -106.16 124.82 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -91.69 138.54 31.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 14' ' ' TRP . 5.7 ttp -132.87 127.38 34.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.38 117.57 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.53 -130.36 1.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 174.24 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.044 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . 68.77 101.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' ALA . 18.2 t0 38.31 -137.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -162.07 87.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD23 ' HG3' ' A' ' 85' ' ' GLU . 5.5 mp -87.52 144.73 35.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.97 75.03 3.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 47.4 60.57 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -72.9 -52.45 5.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 18.4 Cg_endo -75.0 -169.31 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.4 t -165.08 -42.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.24 74.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -94.48 172.16 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.1 m 56.85 95.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 m -126.25 -57.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.21 157.24 5.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.539 1.81 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.9 m -75.21 120.35 20.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.32 82.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -140.66 92.28 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.88 155.89 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.27 -170.83 29.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -174.68 125.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.574 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 1.3 m -158.55 -49.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.42 116.08 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB2' HD23 ' A' ' 24' ' ' LEU . 68.2 m-85 -96.21 167.87 10.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.57 117.99 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.4 m -126.15 -178.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -131.8 124.07 28.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 37' ' ' LEU . 10.4 t -89.68 129.98 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.84 110.68 19.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB ' ' A' ' 41' ' ' THR . 15.3 t90 -117.75 94.81 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 108.033 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.2 -129.51 1.65 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -58.12 -33.9 69.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 0.787 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 56.8 mm-40 -72.43 149.66 44.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -143.05 140.76 31.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 41' ' ' THR . 91.9 m-85 -135.01 110.85 9.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -120.61 121.27 37.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.11 43.97 0.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.884 HG13 ' NE2' ' A' ' 36' ' ' GLN . 39.9 t -106.31 110.36 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.747 . . . . 0.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.03 116.58 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD13 ' CD1' ' A' ' 33' ' ' PHE . 1.4 tp -106.18 152.98 22.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 24' ' ' LEU . 2.2 p30 -130.61 146.63 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -106.58 -41.89 5.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -43.62 -26.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE2' ' CB ' ' A' ' 27' ' ' ASP . 1.7 pm0 -105.97 170.43 5.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 -14.6 21.07 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.487 1.782 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.3 mtp -60.32 -28.78 68.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 4.7 t -76.42 -59.51 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.762 ' CD1' HD13 ' A' ' 24' ' ' LEU . 86.2 t80 -50.59 -30.03 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 57' ' ' LEU . 49.0 mttt -84.24 -22.38 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -71.38 -32.6 68.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.884 ' NE2' HG13 ' A' ' 22' ' ' VAL . 44.4 tt0 -75.15 -45.03 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.012 HD22 HD12 ' A' ' 40' ' ' LEU . 3.1 mt -55.1 -32.3 61.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.406 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 4.3 t80 -59.92 -32.47 70.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.99 -5.93 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 37' ' ' LEU . 11.3 mt -80.93 -53.77 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.595 ' HB ' ' CZ3' ' A' ' 14' ' ' TRP . 18.7 p -109.89 -48.77 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.441 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 38' ' ' PHE . . . 130.65 -3.9 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.408 ' HB ' ' HE3' ' A' ' 75' ' ' MET . 90.6 t -77.65 123.37 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 1.9 mp0 -51.78 154.45 3.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 11.25 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . -121.16 3.47 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -118.62 -39.73 2.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER -65.48 123.01 18.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -94.06 90.52 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.006 HG11 HD12 ' A' ' 57' ' ' LEU . 26.1 t -81.41 103.79 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.11 170.96 15.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' LYS . 19.0 t -132.58 156.33 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' VAL . 7.6 mttt -34.62 -37.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -159.47 40.73 0.48 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.469 1.105 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -171.05 -167.34 31.23 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.8 m -126.2 140.85 52.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.006 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.01 109.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.78 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 31' ' ' MET . 20.1 m-20 -130.24 -48.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.85 -48.81 80.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -169.96 155.43 5.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.8 ' CZ3' HD21 ' A' ' 57' ' ' LEU . 44.8 m95 -59.63 -51.98 67.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.67 -102.55 2.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -138.18 51.51 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.5 mt -87.52 139.05 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -86.96 82.83 7.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.456 ' HE2' HD21 ' A' ' 24' ' ' LEU . 89.2 mmm -84.55 152.84 23.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -150.81 156.72 41.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.523 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 p30 -88.48 121.06 30.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.49 -27.09 4.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.21 -175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.013 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.18 134.71 47.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 50' ' ' VAL . 23.8 t -105.96 119.49 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 74' ' ' LEU . 2.7 tm? -91.61 123.99 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.408 ' HE3' ' HB ' ' A' ' 43' ' ' VAL . 3.1 ttp -114.96 124.74 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.8 mmt -123.76 129.56 51.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.62 -177.68 35.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.1 p -151.9 130.34 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.6 56.57 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t0 55.61 27.02 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 64.23 172.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.2 153.98 43.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.79 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.5 128.31 33.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.0 150.8 0.43 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 71.16 5.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.13 87.6 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.71 76.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.89 66.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -53.85 148.43 10.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.4 p -124.93 145.64 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.48 72.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -52.25 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.26 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 m -149.5 107.87 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.89 162.92 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m 60.06 169.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 136.82 46.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.97 145.46 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.81 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 124.31 3.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB2' HD23 ' A' ' 24' ' ' LEU . 59.0 m-85 -114.07 168.33 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 13.9 t -117.65 147.24 43.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG12 ' CG ' ' A' ' 71' ' ' MET . 33.6 m -157.7 -179.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.8 125.69 25.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG21 HD22 ' A' ' 37' ' ' LEU . 48.5 t -88.61 124.28 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -115.15 109.54 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' GLU . 15.2 t90 -116.86 95.05 4.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . . . 37.69 -130.98 1.36 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -36.78 56.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 76.0 mm-40 -71.38 145.88 49.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -143.45 137.48 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CZ ' ' O ' ' A' ' 40' ' ' LEU . 99.4 m-85 -131.69 110.96 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -115.07 122.44 46.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.19 60.56 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.7 t -118.7 131.07 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -83.44 125.87 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -118.27 150.87 38.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 23.4 m-20 -130.16 151.48 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 28' ' ' GLU . 2.0 p -109.61 -36.09 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.23 -23.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' HB2' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -103.34 171.51 5.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -74.96 171.06 19.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.7 ' HB3' HD22 ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.03 -8.65 20.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.2 -25.33 62.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ALA . 45.8 t -72.05 -64.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.757 ' CD1' HD13 ' A' ' 24' ' ' LEU . 73.2 t80 -46.97 -29.85 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HB3' ' CB ' ' A' ' 45' ' ' PRO . 3.6 mtmp? -81.9 -33.72 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' VAL . . . -66.57 -30.03 70.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -76.05 -45.17 35.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD22 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -49.57 -30.52 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.2 t80 -56.01 -48.28 76.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.78 -2.85 41.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 37' ' ' LEU . 7.5 mt -90.43 -41.49 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.429 ' HB ' ' CE3' ' A' ' 14' ' ' TRP . 71.5 p -121.28 -44.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' PHE . . . 117.29 25.26 3.26 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 79' ' ' ALA . 22.2 t -110.59 160.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 23.3 mp0 -76.87 156.96 82.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -74.96 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.91 -43.81 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.67 -36.09 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.486 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 29.0 mt-30 -58.83 94.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -72.26 92.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.0 HG11 HD12 ' A' ' 57' ' ' LEU . 57.4 t -86.02 100.1 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.15 170.9 15.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' LYS . 21.0 t -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' VAL . 20.1 mttt -33.9 -39.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' VAL . . . -157.69 42.25 0.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -172.16 -171.51 37.17 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.8 m -126.16 143.58 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.0 HD12 HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -64.93 129.28 39.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -79.23 -171.27 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' CA ' ' HG2' ' A' ' 30' ' ' PRO . 1.2 m-20 -128.53 -45.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.81 -53.15 58.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -166.42 155.4 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.653 ' CH2' HD11 ' A' ' 24' ' ' LEU . 54.2 m95 -59.42 -53.1 62.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.26 -107.55 3.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -126.08 55.06 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.5 mt -85.87 136.48 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -89.78 74.69 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.723 ' HE2' HD21 ' A' ' 24' ' ' LEU . 88.1 mmm -74.87 146.79 41.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -139.31 153.58 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 1.1 p30 -91.67 117.67 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.82 -17.98 9.23 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.595 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -58.71 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -123.35 136.86 54.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 5.9 t -106.2 114.94 46.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD13 ' N ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -86.95 125.74 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.555 ' N ' HD13 ' A' ' 74' ' ' LEU . 2.8 ttp -116.92 132.82 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.72 111.34 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.62 142.55 4.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -89.81 161.71 15.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.561 ' HB2' HG22 ' A' ' 43' ' ' VAL . . . -120.59 87.72 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.42 113.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 49.97 66.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 155.02 35.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.07 17.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 138.78 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -165.95 147.89 6.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 85' ' ' GLU . 18.2 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.54 127.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.01 170.33 22.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -62.88 135.84 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.6 m -93.25 -57.97 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -178.05 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -39.13 99.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.2 150.91 40.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.2 m -125.45 134.42 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.978 . . . . . . . . 0 0 . 1 stop_ save_