data_1kqv_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 1kqv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.699 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.699 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD11 ' CD2' ' A' ' 49' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.643 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 35' ' ' GLU . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.562 HG21 ' CD2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD1' HD21 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 73' ' ' ILE . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CD ' HD23 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 69' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD23 ' CD ' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 56' ' ' ASN . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.488 HD21 ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.488 ' N ' HD21 ' A' ' 56' ' ' ASN . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 32' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.632 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.696 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.696 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 32' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 49' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.4 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.562 HG23 ' CE2' ' A' ' 36' ' ' PHE . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' CB ' HD22 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CD ' HD22 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' CD1' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.654 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 ' CD ' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 32' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.654 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 29.4 m120 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.403 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.643 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CD ' HD13 ' A' ' 46' ' ' LEU . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 49' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD22 ' CG ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 32' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 49' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.655 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.683 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CB ' HD13 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.683 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.604 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.656 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 32' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CG ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.579 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.507 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 49' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.629 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 61' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.629 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 17' ' ' GLU . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CD ' HD23 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 69' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD23 ' CD ' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 28' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 32' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.63 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CB ' HD13 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.63 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 49' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD23 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CD2' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 36' ' ' PHE . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 28' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 49' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.604 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 27.4 m120 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 36' ' ' PHE . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 33' ' ' GLN . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 32' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 49' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 39' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.1 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HD21 ' A' ' 53' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.565 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.548 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' CD ' HD23 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 33' ' ' GLN . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 32' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 36' ' ' PHE . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.96 176.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.02 -35.81 2.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -47.63 67.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.699 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.699 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD11 ' CD2' ' A' ' 49' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.488 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.83 161.08 67.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.56 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD23 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.643 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.92 175.15 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -47.08 66.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 35' ' ' GLU . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.562 HG21 ' CD2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.79 163.97 55.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -33.95 69.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD1' HD21 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 36' ' ' PHE . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 73' ' ' ILE . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.9 174.77 0.43 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.2 Cg_endo -75.07 -35.16 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -47.75 70.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CD ' HD23 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 69' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.632 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD23 ' CD ' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 56' ' ' ASN . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.767 ' ND2' 'LA ' ' A' ' 105' ' ' ' LA' . 0.2 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.488 ' N ' HD21 ' A' ' 56' ' ' ASN . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HD22 ' A' ' 32' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.632 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . 0.767 'LA ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.79 146.5 90.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -42.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -29.96 70.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.696 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.696 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 32' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.86 173.97 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.0 -35.3 3.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.78 70.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 49' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD21 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.4 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.562 HG23 ' CE2' ' A' ' 36' ' ' PHE . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 166.43 40.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.11 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -34.42 66.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' CB ' HD22 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.98 175.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.4 Cg_endo -74.97 -37.03 2.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.66 64.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CE2' HD22 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 161.17 66.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -41.88 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -35.42 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CD ' HD22 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' CD1' ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.654 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD11 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 ' CD ' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 32' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.654 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.91 160.42 68.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -33.1 70.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 29.4 m120 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.403 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.643 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.42 138.74 94.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -25.67 68.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.463 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CD ' HD13 ' A' ' 46' ' ' LEU . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 49' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD22 ' CG ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 32' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -60.33 178.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.03 -35.77 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -47.25 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 49' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.655 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD2' HD22 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.655 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.81 161.55 68.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -44.42 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.683 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CB ' HD13 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.683 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.604 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -74.25 150.1 87.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.57 2.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -31.83 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.568 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.656 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 32' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.52 166.75 40.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.803 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.9 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CD2' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CG ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.526 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.44 156.44 75.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.945 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.01 2.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -36.29 69.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.579 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.579 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD11 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.23 151.75 83.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -35.08 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.584 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.507 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 49' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.629 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 61' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.629 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 162.79 67.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -33.65 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 17' ' ' GLU . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CD ' HD23 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 69' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD23 ' CD ' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 28' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 32' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.89 156.44 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.19 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -34.94 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.63 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CB ' HD13 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.9 168.95 22.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.04 68.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CB ' HD11 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.638 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD11 ' CD2' ' A' ' 49' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD23 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.74 159.5 78.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CD2' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 36' ' ' PHE . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 28' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.98 160.3 69.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.9 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.01 -35.45 73.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 49' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.604 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -79.99 159.73 70.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.71 67.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 27.4 m120 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' O ' ' A' ' 36' ' ' PHE . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 33' ' ' GLN . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' CD2' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 32' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -76.5 151.0 82.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.34 2.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -35.63 72.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 49' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CD1' ' HG ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 39' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.561 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 11.2 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.71 161.03 77.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.037 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -42.25 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 1' ' ' LYS . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD1' HD11 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.69 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.477 HD21 ' CD2' ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.1 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HD21 ' A' ' 53' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.565 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 160.16 69.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -40.65 69.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.576 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.548 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.77 163.75 63.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -28.82 69.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' CD ' HD23 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 33' ' ' GLN . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD23 ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.93 162.5 62.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.13 2.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -24.31 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 32' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.561 HG23 ' CE1' ' A' ' 36' ' ' PHE . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 2' ' ' SER . 59.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.85 175.73 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.2 Cg_endo -75.07 -35.86 2.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -45.86 67.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 35' ' ' GLU . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' HA ' ' CD1' ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.559 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.853 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD11 ' HG ' ' A' ' 28' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HD21 ' A' ' 49' ' ' LEU . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.933 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD23 HD13 ' A' ' 53' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.933 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD13 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.697 ' HE2' HD13 ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 37' ' ' PRO . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.129 HD21 HD22 ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.551 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.129 HD22 HD21 ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.833 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 70' ' ' VAL . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' OE2' ' A' ' 35' ' ' GLU . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.93 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.872 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.524 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.524 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 67.3 m-80 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.697 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.618 ' HD2' HD21 ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.93 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 HD22 ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.084 ' CE2' HG21 ' A' ' 73' ' ' ILE . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD21 ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.562 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.084 HG21 ' CE2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 66' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 28' ' ' LEU . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' LEU . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' OG ' HD12 ' A' ' 49' ' ' LEU . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.825 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.825 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CE2' HD22 ' A' ' 6' ' ' LEU . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 49' ' ' LEU . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.829 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 68.6 m-80 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HE3' HD22 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 49' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 37' ' ' PRO . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD22 ' HE3' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.819 HD22 ' CD ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.819 ' CD ' HD22 ' A' ' 56' ' ' ASN . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 53' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.861 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 37' ' ' PRO . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD23 ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.695 HD13 HD23 ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.861 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.926 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' CD2' HG11 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 46' ' ' LEU . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.926 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CB ' HD21 ' A' ' 40' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD12 ' HD3' ' A' ' 72' ' ' LYS . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.862 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 70' ' ' VAL . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 6' ' ' LEU . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HD21 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.921 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.675 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.585 ' CG ' HD12 ' A' ' 46' ' ' LEU . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.921 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.006 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 HD21 ' A' ' 53' ' ' LEU . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.65 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.713 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.997 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 46' ' ' LEU . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.997 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD11 ' HG ' ' A' ' 28' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 32' ' ' LEU . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 49' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD22 HD21 ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.706 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.986 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HG ' HD11 ' A' ' 32' ' ' LEU . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.636 ' HB2' HD21 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.043 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 49' ' ' LEU . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 HD21 ' A' ' 53' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.043 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.825 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.843 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.2 m-80 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 53' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 HD22 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.168 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.073 HD13 HD21 ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.168 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.939 ' CG ' HD12 ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD11 ' HG ' ' A' ' 28' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.837 HD13 HD23 ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 49' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.745 ' O ' HD21 ' A' ' 39' ' ' LEU . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 70' ' ' VAL . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 1.064 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.588 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.588 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 46' ' ' LEU . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.064 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 28' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.897 ' CE2' HG23 ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 29' ' ' LYS . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' O ' HD21 ' A' ' 39' ' ' LEU . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.897 HG23 ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.826 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.828 ' CD2' HD12 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.826 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 37' ' ' PRO . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD22 ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD22 HD21 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.835 ' CG ' HD12 ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 7.2 pm0 -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 46' ' ' LEU . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD22 ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 73' ' ' ILE . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 32' ' ' LEU . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HD23 ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 31' ' ' LEU . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.611 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.982 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.458 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 70.2 m-80 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' CB ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' NZ ' ' A' ' 72' ' ' LYS . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 39' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.845 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HD3' HD12 ' A' ' 69' ' ' LEU . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 70' ' ' VAL . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 6' ' ' LEU . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.992 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' HD21 ' A' ' 46' ' ' LEU . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.992 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' HG21 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' HG22 ' A' ' 61' ' ' VAL . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 39' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.902 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.902 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD11 ' HG ' ' A' ' 28' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.18 ' CE2' HG21 ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.897 HD21 HD22 ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 31' ' ' LEU . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' GLU . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.897 HD22 HD21 ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.18 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.809 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 14' ' ' ALA . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' HD21 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.809 HD12 ' CG ' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 49' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HB3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HD13 ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 39' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.801 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.573 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' HB3' HD23 ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.004 ' CE2' HG21 ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 HD13 ' A' ' 69' ' ' LEU . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.9 HD13 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.004 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.732 ' CD2' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.844 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.676 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 13' ' ' TYR . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 ' HG ' ' A' ' 28' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 73' ' ' ILE . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.779 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD11 HD23 ' A' ' 49' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.655 HD22 HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 1.06 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 46' ' ' LEU . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.06 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 49' ' ' LEU . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 37' ' ' PRO . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.999 HD11 HD23 ' A' ' 49' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 49' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.898 HG21 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.812 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.877 ' CG ' HD12 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HG2' HD11 ' A' ' 46' ' ' LEU . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.713 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.877 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 28' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.713 HD13 HD23 ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 72' ' ' LYS . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.816 ' CE2' HD21 ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.543 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.596 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.543 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.3 m-80 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.816 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CG ' HD21 ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 28' ' ' LEU . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD13 HD21 ' A' ' 53' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.726 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.751 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.464 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.3 m-80 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' A' ' 46' ' ' LEU . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 28' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD13 HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.61 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.71 HD21 HD22 ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.689 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 61' ' ' VAL . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD22 HD21 ' A' ' 53' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.871 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.929 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.929 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD13 ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.765 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.854 HD11 ' CD1' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.047 HD21 HD22 ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.539 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.6 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 39' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.765 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 HD22 ' HE2' ' A' ' 66' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.972 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD13 ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.972 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' LEU . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.844 HD13 HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HE2' HD22 ' A' ' 6' ' ' LEU . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.735 HD22 HD21 ' A' ' 53' ' ' LEU . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.618 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.738 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 1.029 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.701 HD23 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' CB ' HD21 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.029 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.699 ' CD1' HD22 ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.8 ' OE1' HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 32' ' ' LEU . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.99 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.99 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.609 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.927 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.883 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 37' ' ' PRO . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.737 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 53' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.578 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 70' ' ' VAL . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD22 ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' HE2' HD13 ' A' ' 73' ' ' ILE . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 69' ' ' LEU . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG22 ' OE1' ' A' ' 65' ' ' GLU . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 61' ' ' VAL . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 HD21 ' A' ' 49' ' ' LEU . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.96 176.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.02 -35.81 2.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -47.63 67.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.853 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD11 ' HG ' ' A' ' 28' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HD21 ' A' ' 49' ' ' LEU . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.83 161.08 67.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.56 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.933 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD23 HD13 ' A' ' 53' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.933 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD13 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.697 ' HE2' HD13 ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 37' ' ' PRO . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.129 HD21 HD22 ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.551 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.129 HD22 HD21 ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.833 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 70' ' ' VAL . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.92 175.15 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -47.08 66.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' PRO . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.93 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.872 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.524 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.524 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 67.3 m-80 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.697 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.618 ' HD2' HD21 ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.93 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 HD22 ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.084 ' CE2' HG21 ' A' ' 73' ' ' ILE . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD21 ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.562 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.084 HG21 ' CE2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.79 163.97 55.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -33.95 69.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 66' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 28' ' ' LEU . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' LEU . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' OG ' HD12 ' A' ' 49' ' ' LEU . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.825 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.825 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CE2' HD22 ' A' ' 6' ' ' LEU . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 49' ' ' LEU . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.9 174.77 0.43 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.2 Cg_endo -75.07 -35.16 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -47.75 70.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.829 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 68.6 m-80 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HE3' HD22 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 49' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 37' ' ' PRO . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD22 ' HE3' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 56' ' ' ASN . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.767 ' ND2' 'LA ' ' A' ' 105' ' ' ' LA' . 0.2 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' N ' HD22 ' A' ' 56' ' ' ASN . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 53' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . 0.767 'LA ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.79 146.5 90.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -42.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -29.96 70.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.861 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 37' ' ' PRO . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD23 ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.695 HD13 HD23 ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.861 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.86 173.97 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.445 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -35.3 3.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.78 70.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 3' ' ' PRO . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.926 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' CD2' HG11 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 46' ' ' LEU . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.926 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CB ' HD21 ' A' ' 40' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD12 ' HD3' ' A' ' 72' ' ' LYS . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.862 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 70' ' ' VAL . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 166.43 40.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.11 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -34.42 66.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 6' ' ' LEU . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HD21 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.921 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.675 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' CG ' HD12 ' A' ' 46' ' ' LEU . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.921 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.006 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 HD21 ' A' ' 53' ' ' LEU . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.65 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.98 175.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.4 Cg_endo -74.97 -37.03 2.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.66 64.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.713 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.997 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 46' ' ' LEU . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.997 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD11 ' HG ' ' A' ' 28' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 32' ' ' LEU . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 49' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD22 HD21 ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 161.17 66.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -41.88 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -35.42 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.706 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.986 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HG ' HD11 ' A' ' 32' ' ' LEU . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.636 ' HB2' HD21 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.043 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 49' ' ' LEU . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 HD21 ' A' ' 53' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.043 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.91 160.42 68.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -33.1 70.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.825 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.843 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.2 m-80 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 53' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 HD22 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.168 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.073 HD13 HD21 ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.168 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.42 138.74 94.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -25.67 68.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.939 ' CG ' HD12 ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD11 ' HG ' ' A' ' 28' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.837 HD13 HD23 ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 49' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.745 ' O ' HD21 ' A' ' 39' ' ' LEU . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 70' ' ' VAL . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -60.33 178.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.03 -35.77 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -47.25 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 1.064 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.588 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.588 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 46' ' ' LEU . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.064 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 28' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.897 ' CE2' HG23 ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 29' ' ' LYS . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' O ' HD21 ' A' ' 39' ' ' LEU . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.897 HG23 ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.81 161.55 68.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -44.42 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.826 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.828 ' CD2' HD12 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.826 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 37' ' ' PRO . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD22 ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD22 HD21 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -74.25 150.1 87.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.57 2.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -31.83 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.835 ' CG ' HD12 ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 7.2 pm0 -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 46' ' ' LEU . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD22 ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 73' ' ' ILE . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 32' ' ' LEU . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HD23 ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 31' ' ' LEU . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.611 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.52 166.75 40.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.803 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.9 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.982 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.458 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 70.2 m-80 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' CB ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' NZ ' ' A' ' 72' ' ' LYS . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 39' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.845 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HD3' HD12 ' A' ' 69' ' ' LEU . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 70' ' ' VAL . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.44 156.44 75.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.945 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.01 2.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -36.29 69.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 6' ' ' LEU . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.992 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' HD21 ' A' ' 46' ' ' LEU . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.992 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' HG21 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' HG22 ' A' ' 61' ' ' VAL . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 39' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.23 151.75 83.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -35.08 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.902 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.902 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD11 ' HG ' ' A' ' 28' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.18 ' CE2' HG21 ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.897 HD21 HD22 ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 31' ' ' LEU . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' GLU . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.897 HD22 HD21 ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.18 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 162.79 67.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -33.65 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.809 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 14' ' ' ALA . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' HD21 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.809 HD12 ' CG ' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 49' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HB3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HD13 ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 39' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.801 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.89 156.44 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.19 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -34.94 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.573 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' HB3' HD23 ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.004 ' CE2' HG21 ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 HD13 ' A' ' 69' ' ' LEU . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.9 HD13 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.004 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.9 168.95 22.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.04 68.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.732 ' CD2' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.844 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.676 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 13' ' ' TYR . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 ' HG ' ' A' ' 28' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 73' ' ' ILE . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD11 HD23 ' A' ' 49' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.655 HD22 HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.74 159.5 78.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 3' ' ' PRO . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 1.06 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 46' ' ' LEU . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.06 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 49' ' ' LEU . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 37' ' ' PRO . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.999 HD11 HD23 ' A' ' 49' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 49' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.898 HG21 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.98 160.3 69.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.9 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.01 -35.45 73.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.812 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.877 ' CG ' HD12 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HG2' HD11 ' A' ' 46' ' ' LEU . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.713 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.877 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 28' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.713 HD13 HD23 ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 72' ' ' LYS . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -79.99 159.73 70.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.04 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.71 67.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 3' ' ' PRO . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.816 ' CE2' HD21 ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.543 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.596 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.543 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.3 m-80 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CG ' HD21 ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 28' ' ' LEU . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD13 HD21 ' A' ' 53' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.726 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -76.5 151.0 82.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -37.34 2.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -35.63 72.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 3' ' ' PRO . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.751 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.464 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 69.3 m-80 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' A' ' 46' ' ' LEU . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 28' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD13 HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.61 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.71 HD21 HD22 ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.689 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 61' ' ' VAL . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD22 HD21 ' A' ' 53' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 11.2 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.71 161.03 77.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.037 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -42.25 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 1' ' ' LYS . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.871 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.929 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.929 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD13 ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.765 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.854 HD11 ' CD1' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.047 HD21 HD22 ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.539 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.6 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 39' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.765 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 160.16 69.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -40.65 69.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD22 ' HE2' ' A' ' 66' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.972 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD13 ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.972 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' LEU . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.844 HD13 HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HE2' HD22 ' A' ' 6' ' ' LEU . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.735 HD22 HD21 ' A' ' 53' ' ' LEU . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.618 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.77 163.75 63.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -28.82 69.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.738 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 1.029 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.701 HD23 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' CB ' HD21 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.029 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.699 ' CD1' HD22 ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.8 ' OE1' HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 32' ' ' LEU . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.99 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.99 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.609 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.93 162.5 62.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.13 2.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -24.31 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.927 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.883 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 37' ' ' PRO . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.737 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 53' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.578 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 70' ' ' VAL . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 2' ' ' SER . 59.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.85 175.73 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.07 -35.86 2.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -45.86 67.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 3' ' ' PRO . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD22 ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' HE2' HD13 ' A' ' 73' ' ' ILE . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 69' ' ' LEU . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG22 ' OE1' ' A' ' 65' ' ' GLU . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 61' ' ' VAL . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 HD21 ' A' ' 49' ' ' LEU . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.853 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD11 ' HG ' ' A' ' 28' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HD21 ' A' ' 49' ' ' LEU . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.933 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.655 HD23 HD13 ' A' ' 53' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.933 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD13 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.697 ' HE2' HD13 ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 37' ' ' PRO . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.129 HD21 HD22 ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.551 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.129 HD22 HD21 ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.833 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 70' ' ' VAL . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' OE2' ' A' ' 35' ' ' GLU . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.93 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.872 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.697 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.618 ' HD2' HD21 ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.93 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 HD22 ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.084 ' CE2' HG21 ' A' ' 73' ' ' ILE . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD21 ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.698 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.562 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.084 HG21 ' CE2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 66' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 28' ' ' LEU . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' LEU . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' OG ' HD12 ' A' ' 49' ' ' LEU . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.825 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.825 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CE2' HD22 ' A' ' 6' ' ' LEU . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 49' ' ' LEU . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.829 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.829 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HE3' HD22 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 49' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 37' ' ' PRO . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD22 ' HE3' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 56' ' ' ASN . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.504 ' N ' HD22 ' A' ' 56' ' ' ASN . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 53' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.861 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 37' ' ' PRO . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD23 ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.695 HD13 HD23 ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.861 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.926 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' CD2' HG11 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 46' ' ' LEU . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.926 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CB ' HD21 ' A' ' 40' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.4 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD12 ' HD3' ' A' ' 72' ' ' LYS . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.862 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 70' ' ' VAL . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 6' ' ' LEU . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HD21 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.921 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.675 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.585 ' CG ' HD12 ' A' ' 46' ' ' LEU . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.921 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.006 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 HD21 ' A' ' 53' ' ' LEU . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.65 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.713 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.997 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 46' ' ' LEU . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.997 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD11 ' HG ' ' A' ' 28' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 32' ' ' LEU . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 49' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.708 HD22 HD21 ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.706 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.986 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HG ' HD11 ' A' ' 32' ' ' LEU . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.636 ' HB2' HD21 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.043 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 49' ' ' LEU . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 HD21 ' A' ' 53' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.043 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.825 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.843 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 29.4 m120 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 53' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 HD22 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.168 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.073 HD13 HD21 ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.168 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.939 ' CG ' HD12 ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD11 ' HG ' ' A' ' 28' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.837 HD13 HD23 ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 49' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.745 ' O ' HD21 ' A' ' 39' ' ' LEU . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 70' ' ' VAL . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 1.064 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.588 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.588 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 46' ' ' LEU . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.064 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 28' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.897 ' CE2' HG23 ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 29' ' ' LYS . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' O ' HD21 ' A' ' 39' ' ' LEU . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.897 HG23 ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.826 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.828 ' CD2' HD12 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.826 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 37' ' ' PRO . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD22 ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD22 HD21 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.835 ' CG ' HD12 ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.581 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 46' ' ' LEU . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD22 ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 73' ' ' ILE . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 32' ' ' LEU . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HD23 ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 31' ' ' LEU . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.611 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.982 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' CB ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' NZ ' ' A' ' 72' ' ' LYS . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 39' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.845 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HD3' HD12 ' A' ' 69' ' ' LEU . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 70' ' ' VAL . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 6' ' ' LEU . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.992 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' HD21 ' A' ' 46' ' ' LEU . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.992 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' HG21 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' HG22 ' A' ' 61' ' ' VAL . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 39' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.902 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.902 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 HD11 ' HG ' ' A' ' 28' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.18 ' CE2' HG21 ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.897 HD21 HD22 ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 31' ' ' LEU . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' GLU . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.897 HD22 HD21 ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.18 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.809 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 14' ' ' ALA . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' HD21 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.809 HD12 ' CG ' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 49' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HB3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HD13 ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 39' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.801 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.573 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' HB3' HD23 ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.004 ' CE2' HG21 ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 HD13 ' A' ' 69' ' ' LEU . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.9 HD13 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.004 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.732 ' CD2' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.844 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.676 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 13' ' ' TYR . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 ' HG ' ' A' ' 28' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 73' ' ' ILE . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.779 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD11 HD23 ' A' ' 49' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.655 HD22 HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 1.06 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 46' ' ' LEU . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.06 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 49' ' ' LEU . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 37' ' ' PRO . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.999 HD11 HD23 ' A' ' 49' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 49' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.898 HG21 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.812 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.877 ' CG ' HD12 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HG2' HD11 ' A' ' 46' ' ' LEU . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.713 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.877 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 28' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.713 HD13 HD23 ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 72' ' ' LYS . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.816 ' CE2' HD21 ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.596 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 27.4 m120 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.816 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CG ' HD21 ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 28' ' ' LEU . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD13 HD21 ' A' ' 53' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.726 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.751 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' A' ' 46' ' ' LEU . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 28' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD13 HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.61 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.71 HD21 HD22 ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.689 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 61' ' ' VAL . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.71 HD22 HD21 ' A' ' 53' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.871 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.929 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.929 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD13 ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.765 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.854 HD11 ' CD1' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.047 HD21 HD22 ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.539 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.1 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 39' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.765 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 HD22 ' HE2' ' A' ' 66' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.972 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD13 ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.972 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' LEU . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.844 HD13 HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HE2' HD22 ' A' ' 6' ' ' LEU . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.735 HD22 HD21 ' A' ' 53' ' ' LEU . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.618 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.738 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 1.029 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.701 HD23 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' CB ' HD21 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.029 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.699 ' CD1' HD22 ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.8 ' OE1' HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 32' ' ' LEU . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.99 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.99 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.609 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.927 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.883 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 37' ' ' PRO . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.737 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 53' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.578 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 70' ' ' VAL . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD22 ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' HE2' HD13 ' A' ' 73' ' ' ILE . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 69' ' ' LEU . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG22 ' OE1' ' A' ' 65' ' ' GLU . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 61' ' ' VAL . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 HD21 ' A' ' 49' ' ' LEU . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.463 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.96 176.32 0.34 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.02 -35.81 2.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -47.63 67.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.99 -29.74 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 15.0 mt -64.36 -41.32 96.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -51.8 66.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.77 -56.27 26.02 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.14 -47.43 66.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.853 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.13 -54.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.46 -36.64 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.94 -27.95 65.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.8 m-85 -95.62 -39.59 9.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.12 -25.41 66.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.01 -20.53 34.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -65.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.5 mt-10 -115.96 129.29 56.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.47 6.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.23 136.74 84.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -89.64 -4.56 57.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.0 pt20 -145.64 124.22 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.47 162.28 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -137.37 165.8 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 12.3 ttpt -55.72 -58.35 8.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -42.73 88.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.9 mt-10 -59.87 -54.78 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.86 -42.07 88.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -44.02 -56.18 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.48 -57.7 9.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.95 -63.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD11 ' HG ' ' A' ' 28' ' ' LEU . 25.5 mt -48.54 -22.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.1 tt0 -69.33 -60.09 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 -50.21 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -47.02 -60.47 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 73' ' ' ILE . 48.3 m-85 -151.59 90.17 4.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -65.87 -31.95 73.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 73' ' ' ILE . 0.8 OUTLIER -68.87 -21.68 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.71 -27.42 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -71.45 -34.73 70.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.17 165.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.9 mtm -71.48 -4.23 25.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.4 m -92.47 98.23 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 p -64.28 170.53 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -50.65 -62.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.69 -52.0 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.85 -47.39 74.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.07 -43.69 94.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 21.2 t80 -59.63 -53.27 59.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.64 -39.47 77.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -61.97 -56.06 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.48 -51.47 68.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -72.15 102.42 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -0.95 10.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' GLY . 21.6 m120 -93.98 11.98 27.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.05 64.0 0.71 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.46 -57.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.15 -4.56 5.63 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.4 pt-20 -111.63 132.41 54.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.756 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.1 t -102.23 52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.26 165.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 66' ' ' PHE . 17.3 t80 -49.23 -33.04 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -54.59 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.84 -28.87 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' PHE . 9.6 t80 -58.56 -37.5 75.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -60.28 -14.56 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -77.61 -38.57 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD21 HD21 ' A' ' 49' ' ' LEU . 8.6 tp -75.39 -30.92 60.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.33 -22.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -48.98 58.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.62 -31.1 69.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.647 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.5 mt -74.93 -11.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -42.85 10.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.83 161.08 67.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.56 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.43 -33.47 75.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 50.2 mt -60.55 -43.66 96.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -52.99 41.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.22 -59.03 11.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 mt -54.05 -47.57 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.27 -54.69 23.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.66 -39.54 91.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -57.0 -26.79 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.933 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.4 m-85 -95.68 -46.08 6.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -60.16 -22.29 62.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.4 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.59 -65.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.63 129.5 55.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.45 -179.76 9.17 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.55 138.15 89.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -89.76 -5.26 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -145.13 126.92 15.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -88.72 153.01 21.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m -125.8 163.5 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 3.8 ttmt -53.48 -61.77 2.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -39.04 68.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.28 -55.68 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.655 HD23 HD13 ' A' ' 53' ' ' LEU . 2.9 tp -55.6 -42.0 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -42.55 -55.2 3.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.5 mt -53.85 -58.65 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.933 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.9 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD13 ' CD2' ' A' ' 49' ' ' LEU . 16.3 mt -47.63 -23.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -68.82 -61.71 1.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.97 -49.85 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.9 tp10 -47.13 -60.34 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.697 ' HE2' HD13 ' A' ' 73' ' ' ILE . 16.9 m-85 -151.46 89.77 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -25.4 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -66.32 -31.99 73.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -22.91 65.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 37' ' ' PRO . 54.1 mt -74.93 -27.94 60.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.59 -30.85 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.85 170.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 mtp -72.62 -3.83 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.1 m -93.15 98.21 11.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.059 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.2 p -62.89 170.27 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.552 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.21 -65.28 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.86 -51.78 9.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.71 -46.23 74.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -61.5 -43.77 98.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.8 -51.18 71.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.56 -47.09 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.74 -57.52 12.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.129 HD21 HD22 ' A' ' 69' ' ' LEU . 8.2 mt -50.7 -53.04 34.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -70.14 65.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -83.98 0.76 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 t-20 -91.19 2.07 56.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.31 47.6 1.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 3.1 p30 -108.66 -38.16 5.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 118.51 -7.42 13.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -135.54 147.07 48.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 62' ' ' SER . 76.4 t -96.7 168.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.551 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -169.41 169.22 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -48.69 -35.76 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -54.54 44.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 1.4 mt-10 -72.97 -29.5 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.41 -37.63 78.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -56.81 -16.92 7.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.48 -35.64 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.129 HD22 HD21 ' A' ' 53' ' ' LEU . 10.4 tp -77.54 -31.65 53.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.833 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -50.1 -29.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -45.78 61.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mmtm -76.67 -10.01 59.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.833 HD12 ' HA ' ' A' ' 70' ' ' VAL . 23.7 mt -74.66 -52.91 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -38.33 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.92 175.15 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -74.98 -36.44 2.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -47.08 66.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -31.14 70.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 3' ' ' PRO . 14.4 mt -63.2 -41.15 99.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -53.78 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.08 -56.73 23.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mt -54.06 -48.49 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 0.766 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -51.24 -54.53 24.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -38.62 87.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -57.8 -27.35 63.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.93 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.4 m-85 -95.56 -43.7 7.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.872 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -59.8 -23.62 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.27 -21.45 29.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.9 tttp -54.51 -65.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.97 129.64 53.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.45 -179.65 15.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 4.9 t70 -59.83 137.22 90.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.01 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.06 2.68 54.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 19' ' ' ASP . 3.3 pt20 -152.78 125.91 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -86.39 150.19 24.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.3 m -123.11 163.86 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -54.46 -61.04 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.72 -38.88 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.31 -56.22 18.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.697 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.9 tp -51.46 -48.45 62.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.618 ' HD2' HD21 ' A' ' 46' ' ' LEU . 30.7 tttt -40.28 -55.13 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.9 -56.58 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.93 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 HD22 ' A' ' 49' ' ' LEU . 21.6 mt -49.67 -22.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.1 -52.03 3.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 tp10 -46.95 -56.35 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.084 ' CE2' HG21 ' A' ' 73' ' ' ILE . 18.9 m-85 -151.17 88.75 4.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -31.31 17.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -67.05 -21.31 65.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.5 -31.02 62.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 3.6 mttm -69.93 -36.2 75.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.99 163.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtt -71.63 -3.87 24.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 m -89.82 98.1 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -61.82 170.14 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD21 ' HD2' ' A' ' 29' ' ' LYS . 6.5 tp -51.31 -65.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.77 -52.37 8.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.74 -46.95 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.06 -44.66 95.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 t80 -60.08 -52.72 64.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.49 -40.84 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 15.4 tt0 -62.92 -57.13 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.698 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -55.44 -54.91 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 56' ' ' ASN . 3.0 t0 -70.0 71.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -0.79 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 42.9 p-10 -85.47 8.26 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.68 50.31 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.02 -43.34 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.46 -3.49 13.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.066 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.06 145.9 33.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 62' ' ' SER . 89.1 t -89.09 169.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.562 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -164.56 169.27 17.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -49.87 -24.95 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -69.4 -59.22 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.81 -29.99 70.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -59.98 -37.05 78.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.75 -17.35 15.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.3 -35.9 41.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 53' ' ' LEU . 11.4 tp -77.02 -35.07 57.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -51.53 -23.96 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -44.63 67.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -69.82 -42.03 74.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.084 HG21 ' CE2' ' A' ' 36' ' ' PHE . 6.3 mt -74.44 -7.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -40.66 12.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.79 163.97 55.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -33.95 69.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -36.01 81.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD22 ' CE2' ' A' ' 66' ' ' PHE . 6.3 mt -58.33 -43.4 88.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -52.61 51.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -59.51 10.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.8 -47.88 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 3.5 t80 -51.38 -55.94 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.94 -41.17 97.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -25.43 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.0 m-85 -95.53 -40.14 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.65 -21.14 66.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.22 29.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 2.5 tttp -54.57 -65.37 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -120.54 129.47 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.08 -179.94 13.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -58.35 139.56 84.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -2.12 12.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -93.8 6.64 47.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -152.51 127.17 9.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -94.39 137.78 33.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.6 m -109.42 167.29 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 29.6 tttt -58.26 -60.84 3.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -34.49 62.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -68.48 -54.52 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 28' ' ' LEU . 5.3 tp -54.62 -44.61 73.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD21 ' A' ' 46' ' ' LEU . 13.4 tttt -40.53 -55.6 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.6 mt -53.64 -57.05 12.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.533 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.36 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD13 HD22 ' A' ' 49' ' ' LEU . 42.1 mt -48.35 -23.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.506 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -69.86 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -49.93 10.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.9 tt0 -47.07 -60.37 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 35' ' ' GLU . 34.2 m-85 -151.55 89.38 4.15 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.36 -32.87 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.19 -19.97 63.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' A' ' 32' ' ' LEU . 76.8 mt -74.45 -27.94 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.36 -31.92 73.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.88 165.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtt -74.01 -3.77 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.76 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' OG ' HD12 ' A' ' 49' ' ' LEU . 15.6 t -90.5 98.14 11.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.7 p -64.31 170.13 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.6 tp -51.16 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -52.08 9.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -54.71 -45.95 74.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.825 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.27 -43.66 90.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 14.7 t80 -60.2 -53.99 51.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.74 -40.67 84.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 25.3 tt0 -62.15 -56.27 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.825 HD11 HD23 ' A' ' 49' ' ' LEU . 8.0 mt -56.87 -51.08 70.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -72.33 103.91 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -9.8 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -87.08 10.74 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 36.88 61.72 0.89 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -131.35 -54.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.92 -0.77 7.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -108.95 127.25 53.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 61' ' ' VAL . 56.1 t -101.77 51.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -49.53 -29.84 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.1 OUTLIER -54.15 -50.76 66.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.675 ' CE2' HD22 ' A' ' 6' ' ' LEU . 92.3 t80 -58.9 -37.04 75.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -60.69 -14.23 19.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.8 t -77.19 -37.57 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD21 HD21 ' A' ' 49' ' ' LEU . 7.5 tp -73.05 -28.35 62.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.11 -23.39 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -49.08 52.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.99 -14.44 62.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.416 HG21 ' CE2' ' A' ' 36' ' ' PHE . 50.6 mt -89.67 -12.3 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -49.14 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.9 174.77 0.43 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.2 Cg_endo -75.07 -35.16 3.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -47.75 70.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -29.07 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.62 -38.86 90.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -52.66 55.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.93 -57.05 21.7 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -54.17 -47.38 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.829 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.25 -54.56 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.49 -41.78 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -56.61 -24.98 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.89 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.3 m-85 -95.59 -39.25 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.14 -23.69 66.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.54 -21.02 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.41 -66.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.38 129.44 56.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.79 -179.44 10.42 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -58.13 137.6 84.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -89.54 2.58 54.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -151.85 129.89 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.829 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -85.9 162.83 18.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -139.47 161.43 37.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 9.6 tttt -53.1 -59.65 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -43.23 74.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.4 mt-10 -60.1 -57.81 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.642 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -52.17 -47.47 65.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HE3' HD22 ' A' ' 46' ' ' LEU . 25.4 tttt -39.95 -55.2 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.1 mt -53.39 -56.58 15.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.89 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -51.2 -63.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 HD22 ' A' ' 49' ' ' LEU . 82.7 mt -49.48 -21.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.13 -58.53 3.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -51.33 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -46.53 -61.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.1 m-85 -151.36 90.27 4.06 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.97 -21.56 15.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.55 1.816 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.5 p -67.46 -31.78 72.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.55 -21.17 64.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 37' ' ' PRO . 65.8 mt -74.76 -28.66 60.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 18.7 mttt -70.12 -33.7 72.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -42.41 167.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -72.82 -3.86 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -92.85 98.29 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.8 p -64.69 170.21 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD22 ' HE3' ' A' ' 29' ' ' LYS . 6.3 tp -51.1 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.92 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -46.61 74.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -64.3 -42.47 96.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.5 t80 -57.82 -51.74 68.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.67 -33.89 71.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.68 -54.52 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 6.1 mt -55.53 -52.39 63.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 56' ' ' ASN . 31.1 t70 -65.06 103.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.66 4.72 14.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.767 ' ND2' 'LA ' ' A' ' 105' ' ' ' LA' . 0.2 OUTLIER -103.41 -15.9 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' N ' HD22 ' A' ' 56' ' ' ASN . . . 57.55 72.67 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CG ' ' ND2' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -142.37 -68.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.81 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 12.6 pt-20 -166.34 122.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.7 t -93.59 61.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.35 172.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -57.29 -16.48 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.37 -58.56 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.93 -28.47 67.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.96 -38.81 83.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.19 -16.65 35.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.3 t -75.16 -37.17 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 53' ' ' LEU . 11.1 tp -75.73 -36.89 59.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 74' ' ' SER . 3.1 t -50.75 -23.7 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -43.12 71.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -69.9 -44.97 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.2 mt -74.38 -6.39 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 1.7 m -90.14 -42.58 10.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . 0.767 'LA ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.79 146.5 90.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -42.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -29.96 70.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 -35.03 79.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 45.7 mt -58.01 -41.06 82.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -50.35 41.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.66 -60.52 8.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.89 -46.67 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.79 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.847 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 t80 -51.12 -55.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.69 -36.05 79.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -59.18 -28.48 66.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.6 m-85 -95.5 -39.71 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.08 -24.34 66.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.22 -20.93 33.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -54.3 -65.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.9 mt-10 -115.77 129.22 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.9 -179.62 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.93 137.03 83.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 0.35 9.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -89.35 -5.82 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HG2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -142.7 129.32 20.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.847 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -87.8 158.48 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.5 m -134.91 167.57 20.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 7.5 tttt -57.12 -58.67 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.01 85.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.36 -56.84 16.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD23 HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -55.24 -44.36 75.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -42.55 -54.74 3.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.0 mt -53.31 -57.59 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.36 -64.48 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD13 ' CD2' ' A' ' 49' ' ' LEU . 32.8 mt -47.05 -23.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.36 -64.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.32 -49.4 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tt0 -47.22 -59.73 2.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.861 ' CE2' HG21 ' A' ' 73' ' ' ILE . 17.4 m-85 -151.57 89.27 4.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 0.26 9.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -91.06 -31.98 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.941 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.49 -20.28 64.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 37' ' ' PRO . 60.7 mt -74.56 -28.18 60.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.08 -32.97 72.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -39.74 162.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 mtp -71.41 -3.88 23.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -91.65 98.18 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -61.28 170.53 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD23 ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.62 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -44.72 -52.2 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mt-10 -55.2 -45.84 75.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -65.01 -48.47 73.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 15.4 t80 -55.14 -55.19 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -66.9 -40.31 87.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.0 tt0 -58.88 -54.88 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.695 HD13 HD23 ' A' ' 28' ' ' LEU . 9.0 mt -51.54 -58.18 7.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -63.59 161.78 14.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -168.46 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -54.0 -32.41 54.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.17 63.4 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -137.4 -52.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.423 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 125.42 1.33 7.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG2' ' CB ' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -105.45 121.1 43.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 61' ' ' VAL . 51.6 t -97.07 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -47.08 165.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.12 -32.6 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.2 -54.91 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.67 -29.39 65.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -59.06 -37.93 78.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -60.06 -14.74 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.26 -37.2 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -73.98 -34.05 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.42 -25.33 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -42.93 70.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -69.83 -36.79 75.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.861 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.0 mt -74.63 -7.86 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.0 t -90.04 -44.39 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.4 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -59.86 173.97 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.445 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -35.3 3.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.78 70.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -28.48 67.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 3' ' ' PRO . 15.9 mt -66.36 -42.35 88.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' ' CG ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -59.03 -58.12 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.42 -58.53 9.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -53.83 -50.12 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.9 t80 -51.22 -55.96 15.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -62.11 -42.86 99.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.26 -17.85 44.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.926 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.2 m-85 -95.54 -44.88 7.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.24 -11.85 45.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.74 -26.66 29.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.15 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.3 mt-10 -117.08 128.55 55.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.47 175.26 6.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -54.27 143.72 43.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.03 -0.15 9.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -96.82 3.97 51.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.58 129.34 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -93.4 159.49 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -128.63 158.61 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 8.3 tttt -53.29 -59.04 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -38.39 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -65.29 -61.18 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' CD2' HG11 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -48.9 -40.33 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' CB ' HD11 ' A' ' 46' ' ' LEU . 34.8 tttt -46.77 -55.62 7.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.0 mt -53.92 -57.18 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.926 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -48.57 -65.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CB ' HD21 ' A' ' 40' ' ' LEU . 41.5 mt -48.62 -22.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -70.31 -63.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.92 -50.0 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -47.12 -59.7 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 73' ' ' ILE . 19.8 m-85 -151.8 89.2 4.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.49 8.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 p -89.69 -33.75 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.37 -21.14 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.46 -24.96 59.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 19.2 mmtt -70.05 -32.74 71.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.92 166.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.9 mmt -72.58 -4.28 29.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -89.67 98.17 11.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.4 p -65.96 169.79 6.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -51.52 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -53.34 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.4 mt-10 -54.53 -46.82 73.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.77 -43.43 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -60.13 -52.87 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.42 -39.61 77.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 32.3 tt0 -63.32 -56.85 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD11 HD23 ' A' ' 49' ' ' LEU . 8.1 mt -54.98 -51.48 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.64 108.25 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -118.75 -4.64 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.34 10.39 32.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.2 63.22 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.7 p-10 -131.56 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.0 -4.49 5.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 13.9 mm-40 -108.78 131.86 54.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.698 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.1 t -103.83 58.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -52.41 165.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CG ' ' HE3' ' A' ' 7' ' ' LYS . 58.5 t80 -49.07 -32.33 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.3 -51.34 59.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.257 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.73 -32.55 65.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.75 -32.44 69.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.4 mt-30 -60.48 -17.51 45.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.11 -34.9 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD12 ' HD3' ' A' ' 72' ' ' LYS . 10.3 tp -78.98 -26.36 43.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.862 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -54.58 -27.43 17.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -46.87 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -75.88 -10.2 59.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 70' ' ' VAL . 29.1 mt -74.69 -51.11 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -40.09 72.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 166.43 40.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.11 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -34.42 66.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -37.96 85.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 6' ' ' LEU . 14.5 mt -56.74 -39.76 74.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 3.5 tptt -66.99 -60.06 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.61 -57.14 11.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -53.89 -51.32 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CE2' HD21 ' A' ' 23' ' ' LEU . 4.9 t80 -51.29 -55.68 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.32 -42.45 99.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -60.14 -19.86 55.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.921 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.57 -44.73 7.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.16 -14.28 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.5 -26.11 26.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.11 -66.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.4 mt-10 -118.34 129.73 55.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.88 177.52 11.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.8 t70 -57.69 141.69 79.17 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -94.41 2.88 55.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.9 pt20 -150.46 126.49 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.675 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -87.9 160.87 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.1 m -131.23 161.4 32.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' CG ' HD12 ' A' ' 46' ' ' LEU . 8.8 ttpt -54.12 -58.77 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -38.57 70.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -64.21 -60.36 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.16 -44.71 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CB ' HD21 ' A' ' 46' ' ' LEU . 13.0 tttt -42.71 -54.47 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 19.2 mt -53.86 -57.03 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.921 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 49' ' ' LEU . 70.9 mt -50.49 -21.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 tt0 -70.15 -55.11 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.37 -51.21 5.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.89 -59.28 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 47.8 m-85 -151.49 90.23 4.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -17.16 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -33.25 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -20.3 64.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.52 -28.73 61.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.01 -34.05 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.48 165.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.2 mtp -73.11 -3.29 25.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 m -92.99 98.33 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.0 p -63.25 170.89 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -50.38 -64.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.52 -47.96 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -54.91 -46.57 74.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.006 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.08 -40.98 95.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 23.4 t80 -59.58 -52.11 66.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.21 -36.98 80.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -54.8 27.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.006 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.2 mt -58.28 -53.4 58.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -66.63 105.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 -4.74 10.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -94.86 2.99 55.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.31 67.97 0.55 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.5 -58.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.67 42.03 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.3 pm0 -161.88 124.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 61' ' ' VAL . 65.1 t -97.38 57.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.79 166.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 51.1 t80 -48.93 -31.63 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -53.81 48.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.91 -29.44 68.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.7 -36.69 74.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.28 -14.53 18.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.092 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 t -77.66 -36.84 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD13 HD21 ' A' ' 53' ' ' LEU . 8.9 tp -75.99 -31.95 59.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.13 -23.65 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -42.81 71.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -69.79 -34.46 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.65 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 8.6 mt -74.76 -13.88 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.1 -44.34 14.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.98 175.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.4 Cg_endo -74.97 -37.03 2.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -46.66 64.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -31.72 71.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 18.4 mt -62.27 -41.81 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.96 63.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.38 -55.65 29.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mt -53.97 -48.36 63.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.713 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.96 -55.29 17.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -61.91 -36.78 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.1 -27.28 63.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.997 ' CG ' HD12 ' A' ' 31' ' ' LEU . 7.9 m-85 -95.71 -47.14 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.04 -22.19 60.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.26 -23.02 30.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -65.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -119.43 129.25 54.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.09 -179.74 13.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.02 139.52 87.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.02 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -90.66 0.07 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -149.33 130.11 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -93.27 156.33 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -126.85 162.86 24.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' HD11 ' A' ' 46' ' ' LEU . 1.4 tttt -52.48 -59.85 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -40.82 76.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.94 -60.29 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -50.21 -44.28 53.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -43.06 -54.42 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.4 mt -53.96 -56.65 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.997 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.57 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD11 ' HG ' ' A' ' 28' ' ' LEU . 20.7 mt -47.44 -23.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.3 tt0 -70.02 -64.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.93 -50.15 10.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.8 tp10 -46.89 -61.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 73' ' ' ILE . 22.8 m-85 -151.47 88.98 4.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.03 9.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 -33.74 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.31 -21.94 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 32' ' ' LEU . 81.6 mt -74.83 -26.82 59.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.48 -31.13 66.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.42 165.82 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.5 mtt -69.45 -5.06 21.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.2 t -92.39 98.47 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.7 p -59.65 169.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.37 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -44.87 -50.37 10.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -45.74 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -63.9 -42.02 97.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 t80 -59.27 -52.62 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -42.54 79.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -56.87 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 49' ' ' LEU . 8.5 mt -55.76 -54.63 42.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.96 80.57 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.59 0.23 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.9 p30 -86.64 9.83 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.42 58.26 1.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -129.6 -56.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 60' ' ' GLU . . . 130.67 -5.16 5.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.7 mp0 -117.47 133.36 56.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.6 t -102.98 62.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -49.25 179.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -63.81 -21.8 66.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 3.0 mm-40 -63.21 -56.23 18.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 53' ' ' LEU . 2.7 mm-40 -62.18 -27.31 68.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.27 -40.2 85.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -60.89 -13.42 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.1 t -77.49 -38.37 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.708 HD22 HD21 ' A' ' 53' ' ' LEU . 8.4 tp -75.52 -32.21 60.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -54.49 -25.49 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -41.39 72.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -69.6 -37.51 76.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.8 mt -74.57 -7.5 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -44.23 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.9 tptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.0 161.17 66.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -41.88 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -35.42 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -35.1 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.25 -45.16 88.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -52.44 48.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.51 -57.63 16.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -53.96 -48.68 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.706 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -51.17 -55.26 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.79 -41.56 97.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -55.94 -23.43 31.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.986 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.53 -44.18 7.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -62.51 -20.84 65.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.69 -23.15 31.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.2 tttp -54.73 -65.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 4.1 mt-10 -119.47 129.59 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.05 -179.88 13.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.9 t70 -58.55 139.33 85.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -2.43 12.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -94.38 7.31 45.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 2.0 pt20 -154.77 125.88 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -89.35 154.13 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.2 m -125.69 163.68 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.73 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -40.11 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -62.83 -56.45 17.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HG ' HD11 ' A' ' 32' ' ' LEU . 2.8 tp -53.48 -45.78 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.636 ' HB2' HD21 ' A' ' 46' ' ' LEU . 7.9 ttpp -41.57 -55.15 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.6 mt -53.38 -56.91 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.986 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.87 -64.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 49' ' ' LEU . 29.2 mt -49.72 -21.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.95 -47.97 64.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.16 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.79 -57.26 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.043 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 26.9 m-85 -151.27 88.78 4.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.45 5.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -27.93 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CG1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -69.88 -20.13 63.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 mt -74.48 -27.15 60.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.69 -34.28 69.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.32 165.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.8 mtt -74.99 -3.97 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -92.68 98.2 11.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -62.7 170.05 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.1 tp -51.45 -64.67 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.7 -52.48 8.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.78 -47.02 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.53 -45.56 91.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 31.2 t80 -59.84 -51.38 69.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.54 -45.93 85.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -61.48 -56.42 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 49' ' ' LEU . 8.9 mt -57.14 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.43 94.02 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.1 mttt -112.17 -5.54 14.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 31.8 m120 -86.33 9.84 16.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 37.15 60.68 1.05 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' CB ' ' OE1' ' A' ' 60' ' ' GLU . 46.7 m-20 -133.36 -48.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.18 16.98 5.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 4.8 mp0 -131.57 127.81 37.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.5 t -100.47 59.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.77 173.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -57.96 -17.86 19.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.4 mm-40 -68.66 -54.18 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 72.0 mt-10 -68.88 -22.95 64.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.42 -37.07 85.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.45 -14.54 19.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.0 -36.86 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD13 HD21 ' A' ' 53' ' ' LEU . 8.6 tp -74.49 -30.62 61.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.5 t -55.08 -21.4 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.01 -46.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -41.4 75.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.043 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.5 mt -74.53 -10.51 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.0 m -90.0 -39.83 12.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.91 160.42 68.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -33.1 70.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -34.97 78.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.5 mt -60.15 -42.37 94.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.76 -53.35 27.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.03 -57.81 17.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -53.97 -47.6 64.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.825 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -50.94 -55.71 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.476 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -62.17 -37.71 86.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -57.79 -29.47 64.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.843 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.9 m-85 -95.31 -38.31 10.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.27 -25.45 66.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.06 -20.57 34.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -54.47 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -115.66 129.25 56.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 -179.54 7.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 1.8 t70 -57.81 137.38 83.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 -1.94 11.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 29.4 m120 -89.43 -0.27 57.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.27 128.99 15.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -90.04 157.07 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -135.78 169.28 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.7 ttpt -57.68 -58.71 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.14 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.0 mt-10 -59.95 -54.91 40.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 53' ' ' LEU . 2.7 tp -55.4 -46.22 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 59.9 tttt -39.85 -55.48 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.64 -58.27 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.843 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.77 -65.08 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 HD22 ' A' ' 49' ' ' LEU . 27.4 mt -47.5 -23.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.4 tt0 -69.39 -63.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -49.78 11.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 7.3 tp10 -47.02 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.168 ' CE2' HG21 ' A' ' 73' ' ' ILE . 21.5 m-85 -151.45 89.02 4.23 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.59 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.481 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 20.6 p -90.07 -33.81 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -68.31 -21.19 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.78 -29.18 61.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -72.26 -26.88 62.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.4 169.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.55 -3.88 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.7 m -95.31 98.42 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.0 p -59.94 170.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.3 tp -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.74 -53.38 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.89 -47.78 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -62.66 -45.14 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.8 t80 -59.34 -52.47 65.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -68.2 -40.44 82.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 40.0 tt0 -62.79 -56.46 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.073 HD21 HD13 ' A' ' 69' ' ' LEU . 8.5 mt -54.41 -52.77 60.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 11.0 t0 -68.17 74.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 6.0 mmtt -90.39 -11.59 40.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' OD1' ' CG ' ' A' ' 65' ' ' GLU . 7.6 m120 -74.63 -4.74 38.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 49.4 43.0 34.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 p30 -109.64 -43.73 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 119.74 -1.58 13.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -136.56 134.74 37.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.747 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 62' ' ' SER . 71.7 t -87.47 167.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.545 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -164.25 170.16 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -49.92 -24.16 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.556 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -70.09 -56.99 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' CG ' ' OD1' ' A' ' 56' ' ' ASN . 49.5 mt-10 -70.59 -28.22 64.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.06 -35.03 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.11 -15.01 19.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.57 -36.42 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.073 HD13 HD21 ' A' ' 53' ' ' LEU . 7.4 tp -76.31 -37.13 57.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.7 t -50.9 -23.16 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -42.66 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -69.76 -44.82 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.168 HG21 ' CE2' ' A' ' 36' ' ' PHE . 14.7 mt -74.48 -7.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.0 m -89.99 -44.18 10.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.052 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.42 138.74 94.87 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -25.67 68.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.77 -33.68 75.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.256 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -60.58 -45.59 93.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -56.79 -54.83 41.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.84 -53.46 45.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mt -54.08 -49.77 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 9.7 t80 -51.27 -55.25 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.04 -35.52 78.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -30.86 64.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.939 ' CG ' HD12 ' A' ' 31' ' ' LEU . 13.4 m-85 -95.86 -39.03 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.22 -24.8 66.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -83.64 -20.27 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -53.86 -65.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.0 mt-10 -117.02 131.08 57.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.03 -179.6 8.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.15 138.49 80.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -89.35 -23.68 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.3 pt20 -129.74 121.4 26.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -82.81 173.62 11.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.38 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.6 m -144.87 168.22 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.8 ttmp? -55.06 -58.13 8.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -43.82 83.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.52 -58.04 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.837 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -55.64 -43.26 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -43.17 -56.51 3.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.2 mt -53.33 -58.13 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.939 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.71 -63.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD11 ' HG ' ' A' ' 28' ' ' LEU . 29.5 mt -48.14 -23.48 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.4 tt0 -70.47 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -50.18 11.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -46.59 -60.56 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 2.2 m-85 -151.65 89.09 4.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 0.64 8.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.66 -30.19 19.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.077 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -68.68 -21.67 64.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -27.39 60.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.2 mttm -69.77 -36.21 75.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.88 164.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.147 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.6 mmt -71.11 -4.23 24.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -93.39 98.28 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 p -63.05 170.09 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.41 -61.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.53 -54.07 6.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.68 -44.65 73.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -64.79 -46.63 81.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.5 t80 -56.49 -54.47 45.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.04 -39.37 93.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -60.01 -53.18 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.837 HD13 HD23 ' A' ' 28' ' ' LEU . 6.4 mt -54.9 -54.86 37.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -73.09 102.24 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -111.63 -22.28 11.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.84 -52.61 34.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.37 59.46 0.55 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -134.91 -51.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.95 1.52 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.4 pt-20 -106.86 124.41 49.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.5 t -99.73 60.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -54.14 166.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 23.0 t80 -49.19 -30.79 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -52.61 -54.99 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -68.55 -32.33 72.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -58.89 -36.94 75.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.5 mm-40 -60.26 -15.81 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.63 -37.6 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 49' ' ' LEU . 6.9 tp -76.81 -27.1 55.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.16 -28.34 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -46.33 60.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.745 ' O ' HD21 ' A' ' 39' ' ' LEU . 30.1 mmtt -76.41 -11.82 59.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 70' ' ' VAL . 54.6 mt -74.81 -51.27 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -39.83 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -60.33 178.25 0.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 18.3 Cg_endo -75.03 -35.77 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -47.25 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.78 -30.84 70.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.7 mt -62.94 -40.33 97.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 1.2 tppt? -62.85 -57.1 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.39 -56.91 19.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.92 -49.4 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.1 t80 -51.09 -54.56 23.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -39.14 90.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.275 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -21.4 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 1.064 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.5 -43.81 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.588 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.61 -16.83 64.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.21 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.81 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -117.9 129.54 55.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.51 179.09 8.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.46 139.43 85.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.588 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 -0.47 10.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -93.13 5.3 51.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 4.2 pt20 -154.32 127.22 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -88.14 154.62 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -126.39 162.45 25.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 1.4 ttpm? -54.8 -59.98 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -37.44 71.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.04 -56.72 12.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -52.61 -47.03 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CD ' HD21 ' A' ' 46' ' ' LEU . 2.2 ttpt -41.11 -56.19 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 10.5 mt -53.53 -56.87 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.064 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.38 -65.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 28' ' ' LEU . 32.3 mt -49.28 -22.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -70.25 -58.81 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -52.1 5.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 tp10 -46.03 -61.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.897 ' CE2' HG23 ' A' ' 73' ' ' ILE . 4.7 m-85 -151.21 90.7 4.04 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.97 8.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -22.61 29.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -71.37 -21.99 61.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.88 -19.65 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -94.56 57.6 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.48 172.37 22.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -74.88 -5.93 46.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.3 m -99.43 98.63 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 p -61.22 170.66 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD ' ' A' ' 29' ' ' LYS . 5.2 tp -50.97 -65.24 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.01 -51.3 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -54.89 -45.16 74.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -61.94 -46.45 89.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -57.5 -52.63 64.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.13 -34.77 75.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' GLU . 7.1 tt0 -65.34 -54.08 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD13 ' CD2' ' A' ' 28' ' ' LEU . 7.7 mt -55.69 -51.56 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.37 164.34 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.36 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -58.23 -16.88 15.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.2 63.37 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -135.68 -51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.86 7.57 9.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.1 pt-20 -117.06 126.26 52.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 61' ' ' VAL . 50.8 t -98.51 53.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.19 164.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.416 ' CE2' ' HD3' ' A' ' 7' ' ' LYS . 19.8 t80 -49.38 -31.36 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.86 -53.93 34.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.88 -28.99 63.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -58.83 -32.91 69.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.2 -14.56 18.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.07 -37.32 19.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 49' ' ' LEU . 11.3 tp -78.94 -27.52 43.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -49.97 -27.38 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -46.82 61.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' O ' HD21 ' A' ' 39' ' ' LEU . 19.2 mmtt -72.17 -17.36 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.897 HG23 ' CE2' ' A' ' 36' ' ' PHE . 22.0 mt -76.87 -41.34 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -71.83 -43.77 65.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -78.81 161.55 68.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -44.42 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt-20 -68.45 -40.42 81.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.4 mt -51.84 -42.38 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -65.07 -52.4 55.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.11 20.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mt -54.16 -48.43 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.826 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.7 t80 -51.09 -54.77 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.54 -37.86 85.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -59.08 -26.59 64.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.828 ' CD2' HD12 ' A' ' 31' ' ' LEU . 9.9 m-85 -95.77 -41.85 8.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.21 -24.67 66.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -82.49 -21.7 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.24 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.8 mt-10 -114.23 129.54 56.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.26 -179.58 4.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.74 137.36 82.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -89.81 -0.08 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 1.6 pm0 -148.54 126.41 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.826 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -87.84 160.19 18.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.4 m -138.28 169.85 17.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.043 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.76 -56.95 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -45.68 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 5.2 mt-10 -60.05 -57.96 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD2' HD13 ' A' ' 53' ' ' LEU . 4.1 tp -55.17 -44.75 75.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' LEU . 32.0 tttp -39.76 -56.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.7 mt -53.77 -58.03 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -49.3 -64.31 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 49' ' ' LEU . 17.8 mt -47.85 -23.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.3 tt0 -70.2 -64.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.78 -50.39 10.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -46.82 -61.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HG21 ' A' ' 73' ' ' ILE . 40.3 m-85 -151.55 89.13 4.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 -15.84 20.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.532 1.806 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -30.72 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -24.52 65.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 37' ' ' PRO . 35.4 mt -75.19 -27.37 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.3 mttt -71.92 -34.16 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.11 169.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.9 mmt -69.91 -5.18 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 0.738 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 m -94.48 98.26 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.944 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 p -59.9 170.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.1 tm? -50.96 -63.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.75 -48.36 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.78 -45.82 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.842 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.33 -41.89 93.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 10.6 t80 -59.11 -52.79 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.45 -43.72 80.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.62 -57.15 13.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD22 ' A' ' 69' ' ' LEU . 5.1 mt -52.57 -56.74 13.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -69.84 68.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -63.13 -20.24 65.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -84.81 176.72 8.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.02 54.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -124.56 -52.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 -1.91 8.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 2.9 mp0 -103.94 125.15 50.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.4 t -100.86 48.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.22 163.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -49.06 -31.88 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.37 -53.81 32.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.85 -28.07 64.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.19 -34.55 72.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -60.28 -14.55 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.3 -37.05 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD22 HD21 ' A' ' 53' ' ' LEU . 11.2 tp -76.09 -33.33 59.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.8 -25.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -43.83 69.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -69.83 -33.49 72.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.619 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.6 mt -74.85 -9.73 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.97 -44.11 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -74.25 150.1 87.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.57 2.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -31.83 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.17 -33.31 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.55 -42.17 91.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -53.65 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.0 -53.43 46.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.18 -48.3 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.781 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -50.76 -54.68 21.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.3 mt-10 -61.83 -34.63 76.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -58.24 -30.53 66.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.835 ' CG ' HD12 ' A' ' 31' ' ' LEU . 14.3 m-85 -95.52 -38.17 10.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.29 -29.17 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -77.66 -21.59 51.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.49 -65.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.254 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -117.16 130.01 56.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.87 -179.54 6.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -53.36 141.3 43.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 1.53 7.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 98.9 m-20 -89.4 -48.04 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.581 ' N ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -97.99 130.32 44.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -89.4 166.6 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -140.21 161.95 36.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -53.29 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -41.63 82.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 2.9 mt-10 -59.54 -57.82 11.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 53' ' ' LEU . 4.3 tp -58.52 -42.77 88.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 46' ' ' LEU . 14.8 tttt -40.44 -54.98 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 0.7 OUTLIER -54.19 -59.78 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.835 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.68 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.703 HD13 HD22 ' A' ' 49' ' ' LEU . 28.0 mt -47.69 -23.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.7 tt0 -69.74 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.55 -49.4 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.399 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 6.6 tp10 -47.11 -58.57 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 73' ' ' ILE . 23.3 m-85 -151.69 88.7 4.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -35.27 15.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -68.56 -21.98 64.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 32' ' ' LEU . 94.0 mt -74.61 -28.0 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.48 -28.54 65.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.68 169.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -3.93 32.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 0.78 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -92.27 98.34 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.9 p -63.86 170.09 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 46' ' ' LEU . 6.6 tp -51.17 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -51.59 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.69 -46.52 74.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.85 -47.83 83.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.67 -52.75 63.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -43.8 97.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.51 -54.71 42.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HD23 ' A' ' 28' ' ' LEU . 5.3 mt -53.5 -56.4 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.68 100.47 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -111.89 -18.42 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.401 ' OD1' ' OE2' ' A' ' 65' ' ' GLU . 20.8 m120 -71.66 -42.75 67.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.66 61.62 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.77 -51.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.03 1.91 7.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 16.4 pt-20 -109.93 124.21 50.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 61' ' ' VAL . 47.8 t -97.95 57.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.427 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -50.73 165.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.17 -31.72 8.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.58 -53.75 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 56' ' ' ASN . 71.8 mt-10 -69.64 -30.53 68.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 31' ' ' LEU . 11.3 t80 -58.55 -37.58 76.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -60.39 -14.84 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.11 -38.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.26 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' LEU . 8.6 tp -72.77 -32.48 65.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -54.49 -23.03 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -48.76 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -33.64 72.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.611 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.5 mt -74.7 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -90.03 -45.78 8.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.52 166.75 40.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.803 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -36.9 71.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.09 -33.81 75.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.84 11.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -50.15 66.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.82 -52.29 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.2 t80 -51.6 -55.17 20.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.4 mt-10 -62.11 -41.11 97.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -26.87 19.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.982 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.4 m-85 -95.73 -40.96 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -63.08 -21.53 66.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.76 -21.67 29.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.5 tttp -54.75 -65.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.7 mt-10 -119.9 129.99 54.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.22 -179.59 11.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.88 138.6 87.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -91.91 2.02 56.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -150.03 129.17 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -93.18 147.4 22.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 m -119.23 163.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 2.9 ttmt -55.05 -60.32 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -39.53 68.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.26 -55.29 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.7 tp -54.64 -40.76 69.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' CB ' HD11 ' A' ' 46' ' ' LEU . 3.6 ttpm? -46.67 -57.59 4.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 5.8 mt -53.92 -56.89 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -49.36 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 HD22 ' A' ' 49' ' ' LEU . 24.1 mt -47.95 -23.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -68.28 -60.02 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -49.93 7.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.7 tp10 -46.91 -59.81 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 73' ' ' ILE . 1.3 m-85 -150.93 90.26 4.19 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.34 9.01 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -33.52 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -68.41 -20.07 64.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.41 -29.15 61.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -70.91 -35.87 72.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.14 165.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.0 mtt -73.0 -3.75 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 0.723 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -90.45 98.09 11.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.6 p -64.59 170.11 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.49 HD23 ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -51.28 -64.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -52.7 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -54.57 -44.84 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.634 HD22 HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -65.24 -45.27 85.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 9.9 t80 -58.28 -54.21 49.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.8 pp20? -67.99 -40.83 83.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 34.5 tt0 -60.76 -56.53 20.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' CD2' ' A' ' 28' ' ' LEU . 8.0 mt -53.8 -52.76 59.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.83 157.39 36.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.17 -42.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.21 -20.9 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.49 60.74 3.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -133.63 -52.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.61 1.85 8.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.455 1.097 . . . . 0.0 110.966 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 1.6 mp0 -106.8 122.18 45.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 46.8 t -97.53 52.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.53 164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.954 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -49.13 -31.64 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -51.21 -53.79 31.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.22 -30.42 64.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.03 -36.68 75.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.22 -14.38 17.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' NZ ' ' A' ' 72' ' ' LYS . 40.4 t -77.66 -35.73 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 39' ' ' LEU . 15.0 tp -76.93 -30.86 56.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.845 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.01 -26.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -47.68 55.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HD3' HD12 ' A' ' 69' ' ' LEU . 3.7 mptt -75.54 -11.77 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 70' ' ' VAL . 57.2 mt -74.67 -49.94 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.63 -42.15 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.2 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.44 156.44 75.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.945 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.01 2.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -36.29 69.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.46 -36.84 85.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 6' ' ' LEU . 16.3 mt -59.08 -40.5 85.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -69.3 -51.5 36.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.57 -56.46 24.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -53.9 -48.37 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 t80 -51.32 -55.6 17.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.99 -41.88 98.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.51 -24.99 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.992 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.9 m-85 -95.71 -46.15 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -59.8 -20.82 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.21 -22.94 28.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -54.61 -65.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.3 mt-10 -118.69 129.54 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.73 11.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.39 139.31 88.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.574 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.97 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -90.21 -0.62 57.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -148.41 129.72 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -90.73 156.36 18.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -128.04 160.65 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -53.09 -58.47 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -38.97 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -63.1 -58.86 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -56.53 -37.05 69.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' CG ' HD21 ' A' ' 46' ' ' LEU . 9.8 tttp -48.42 -54.26 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.4 mt -53.66 -57.15 11.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.992 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.75 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 HD22 ' A' ' 49' ' ' LEU . 31.1 mt -49.4 -22.16 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -69.75 -57.46 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -50.7 6.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -46.89 -59.57 3.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' HG21 ' A' ' 73' ' ' ILE . 46.1 m-85 -151.59 90.24 4.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.76 12.53 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.99 -31.51 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.528 HD13 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -69.2 -21.72 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -74.71 -27.31 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -71.12 -36.48 72.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.13 168.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -3.98 35.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m -91.92 98.28 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.6 p -67.16 170.42 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.19 -64.58 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.71 12.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.49 -46.75 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.97 -46.06 92.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 33.0 t80 -56.18 -51.56 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -41.11 96.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.82 -54.41 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 49' ' ' LEU . 3.8 mt -52.52 -58.18 7.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.53 159.69 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.42 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -55.34 -31.68 61.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.53 61.49 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.558 1.162 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -127.86 -52.43 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 117.37 7.34 12.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 13.0 pt-20 -115.84 123.06 47.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.717 ' O ' HG12 ' A' ' 61' ' ' VAL . 40.5 t -94.94 62.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.29 176.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.537 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 31.0 t80 -59.9 -18.26 43.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.51 -58.47 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' HG22 ' A' ' 61' ' ' VAL . 61.1 mt-10 -58.8 -28.47 66.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -60.29 -39.91 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.31 -14.9 20.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.95 -38.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 39' ' ' LEU . 7.7 tp -76.98 -32.0 56.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -49.92 -24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -43.03 71.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -69.94 -33.88 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 36' ' ' PHE . 18.0 mt -74.75 -10.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.77 -44.04 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.23 151.75 83.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -37.16 2.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -35.08 72.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.38 -38.57 87.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -52.79 33.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.76 -55.64 29.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -54.2 -48.06 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.98 -54.69 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.65 -36.18 80.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -59.04 -28.71 66.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.902 ' CG ' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.41 -38.43 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -66.57 -27.59 67.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -81.73 -19.82 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.59 -65.73 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -118.16 130.59 56.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.41 -179.41 7.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 22' ' ' GLN . 1.5 t70 -57.1 137.69 80.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 3.3 m120 -89.48 6.74 39.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 1.5 pt20 -155.71 120.23 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -80.27 168.08 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -143.66 170.02 16.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HE3' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -56.4 -59.52 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.04 88.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.49 -56.58 20.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -57.43 -44.39 84.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -42.33 -56.67 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 7.1 mt -53.51 -57.13 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.902 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.96 -64.12 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 HD11 ' HG ' ' A' ' 28' ' ' LEU . 22.0 mt -48.0 -23.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -68.72 -60.25 2.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -50.21 7.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -46.83 -60.63 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.18 ' CE2' HG21 ' A' ' 73' ' ' ILE . 15.9 m-85 -151.49 90.13 4.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -21.38 15.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -69.77 -30.53 68.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -68.85 -21.43 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.78 -27.22 60.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.56 -32.28 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -41.44 165.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.4 mmt -70.01 -4.89 22.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.6 m -92.38 98.1 11.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.2 p -60.82 169.75 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.22 -65.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.95 -50.6 10.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -54.69 -46.17 74.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.31 -41.74 93.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CD2' ' HE3' ' A' ' 25' ' ' LYS . 8.7 t80 -59.89 -53.65 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -70.11 -40.7 74.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 11.1 tt0 -61.93 -57.09 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.897 HD21 HD22 ' A' ' 69' ' ' LEU . 8.4 mt -54.57 -56.66 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 6.4 t70 -69.7 72.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -67.85 -20.62 65.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.0 p30 -81.18 177.76 8.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.58 53.35 0.63 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.29 -55.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.1 -3.44 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 2.5 pt-20 -111.94 125.11 53.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' OG ' ' A' ' 62' ' ' SER . 2.2 t -75.87 -59.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER 65.35 157.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -48.58 -33.88 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.29 -57.18 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt-10 -75.74 -25.27 56.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 31' ' ' LEU . 14.3 t80 -59.11 -36.26 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -60.2 -14.22 16.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 65' ' ' GLU . 35.3 t -74.21 -36.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.897 HD22 HD21 ' A' ' 53' ' ' LEU . 6.6 tp -76.91 -37.31 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' SER . 2.4 t -50.04 -23.25 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -69.84 -44.82 69.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.18 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.8 mt -74.43 -7.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 2.2 m -90.07 -34.91 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.62 162.79 67.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.07 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -33.65 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -36.9 83.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.5 mt -57.43 -37.31 72.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -56.23 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.66 -52.86 49.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.02 -50.34 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 10.1 t80 -50.78 -54.6 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.55 -41.36 97.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -60.67 -21.1 62.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.809 ' CG ' HD12 ' A' ' 31' ' ' LEU . 1.7 m-85 -95.77 -44.81 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -67.21 -9.15 37.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -19.9 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.95 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 3.1 mt-10 -120.92 130.39 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.16 179.33 25.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -54.45 143.95 44.73 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.445 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 -2.02 11.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -92.05 -38.43 12.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 2.0 pt20 -107.42 121.42 44.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.49 171.65 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -143.28 169.03 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.43 -56.65 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -43.87 82.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 14' ' ' ALA . 2.6 mt-10 -61.54 -57.25 12.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.846 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -53.01 -44.44 67.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' HD21 ' A' ' 46' ' ' LEU . 15.5 ttpt -42.87 -55.62 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.7 mt -52.83 -56.72 13.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.809 HD12 ' CG ' ' A' ' 13' ' ' TYR . 1.1 tt -50.47 -64.96 0.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' HD22 ' A' ' 49' ' ' LEU . 62.9 mt -49.76 -21.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -69.73 -48.08 60.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 -53.5 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.629 ' HB3' HD23 ' A' ' 31' ' ' LEU . 1.3 tp10 -46.4 -57.0 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE2' HD13 ' A' ' 73' ' ' ILE . 38.3 m-85 -151.0 88.64 4.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -32.88 5.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -28.08 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -68.74 -21.11 64.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.83 -28.28 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mttm -70.91 -37.31 72.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.22 163.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -4.2 23.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 m -92.68 98.21 11.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.5 p -63.83 170.12 3.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 29' ' ' LYS . 6.3 tp -51.3 -64.65 0.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -44.66 -52.56 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -45.22 74.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.972 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.39 -46.3 89.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 40.0 t80 -56.4 -52.27 65.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.09 95.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -63.61 -54.56 34.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.972 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -51.43 -58.14 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.04 167.48 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.17 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.53 -14.49 29.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.34 65.05 2.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.102 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -133.14 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.09 0.66 7.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 12.2 pt-20 -108.62 124.62 50.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 61' ' ' VAL . 70.0 t -99.32 59.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -53.39 166.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -49.39 -32.11 10.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -50.95 -55.86 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.2 -33.63 76.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.96 -33.28 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.32 -21.03 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.0 t -75.11 -34.89 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 39' ' ' LEU . 13.0 tp -77.6 -28.07 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.801 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.3 t -50.53 -29.19 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -45.99 61.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.57 -12.05 60.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.5 mt -74.79 -49.71 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.6 t -75.61 -40.46 56.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.89 156.44 74.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -38.19 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -34.94 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -38.16 83.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 13.8 mt -56.04 -40.97 74.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -66.2 -58.62 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.3 -51.94 39.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -54.03 -52.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.9 t80 -51.01 -54.4 24.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -61.79 -40.77 96.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.5 m-85 -95.48 -39.55 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -67.67 -18.7 65.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.15 -24.15 28.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 1.6 mptp? -53.46 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 2.7 mt-10 -116.46 129.54 56.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.61 -179.79 9.53 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.6 t70 -60.14 139.43 91.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.573 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -1.12 10.79 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 92.5 m-20 -89.7 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.471 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -149.14 125.82 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -83.02 164.98 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.3 m -138.67 164.86 28.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -57.91 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -42.94 86.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 5.8 mt-10 -59.82 -58.05 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.6 tp -53.3 -47.5 69.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -40.85 -56.39 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 9.3 mt -54.1 -55.28 29.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -49.83 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 49' ' ' LEU . 20.3 mt -49.82 -21.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -69.8 -47.73 61.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.47 -53.23 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' HB3' HD23 ' A' ' 31' ' ' LEU . 3.6 tp10 -46.48 -57.09 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.004 ' CE2' HG21 ' A' ' 73' ' ' ILE . 32.0 m-85 -150.81 88.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.5 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.0 -19.28 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -69.82 -22.71 63.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.68 -22.89 58.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -90.52 53.11 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.71 171.08 22.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -6.07 47.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.13 98.89 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -59.48 170.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -50.58 -64.38 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -45.04 -49.77 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.89 -46.17 74.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -59.84 -44.9 93.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.7 t80 -59.36 -51.98 67.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.29 -42.72 83.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.21 -55.81 27.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 HD13 ' A' ' 69' ' ' LEU . 8.1 mt -56.14 -51.22 68.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -74.78 93.19 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.99 -6.18 13.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' GLY . 48.8 p30 -88.79 7.49 33.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.45 69.54 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -138.06 -48.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.35 31.61 1.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -153.51 126.42 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.0 t -97.23 57.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.19 166.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 45.3 t80 -49.05 -33.69 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -53.46 40.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.06 -27.77 63.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.1 -37.85 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -60.7 -13.59 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.8 -38.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.9 HD13 HD21 ' A' ' 53' ' ' LEU . 9.3 tp -74.85 -31.44 61.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.77 -21.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.6 -48.26 60.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -34.76 74.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.004 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.0 mt -74.67 -9.7 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.8 t -90.01 -42.28 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.9 168.95 22.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.04 68.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -38.68 87.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 10.8 mt -56.05 -40.6 73.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.48 -51.18 53.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -54.18 -51.5 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.8 -54.64 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -61.93 -36.85 82.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -57.93 -26.87 62.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.732 ' CD2' HD12 ' A' ' 31' ' ' LEU . 10.0 m-85 -95.56 -39.78 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.66 -29.61 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -74.94 -23.8 58.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.2 tttt -54.34 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -115.99 129.97 56.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.02 -179.69 6.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 2.2 t70 -53.0 141.28 39.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 -0.51 10.05 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.054 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 3.4 m-80 -89.75 -43.08 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 4.2 pt20 -103.17 128.09 50.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.844 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -84.24 173.68 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.5 m -144.86 157.77 44.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 27.5 ttmt -50.57 -58.15 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.75 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.9 mt-10 -60.77 -59.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.676 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -54.7 -41.2 69.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -45.37 -56.58 4.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 8.4 mt -53.64 -56.61 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 13' ' ' TYR . 1.1 tt -50.11 -64.51 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.676 HD11 ' HG ' ' A' ' 28' ' ' LEU . 21.5 mt -47.87 -23.44 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -68.67 -60.53 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -49.7 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 5.5 tp10 -47.14 -60.14 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 73' ' ' ILE . 19.2 m-85 -151.46 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -24.45 12.89 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.5 t -68.28 -33.24 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 32' ' ' LEU . 87.3 mt -74.55 -26.6 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.81 -27.77 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.69 167.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mtt -71.34 -4.32 25.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m -93.98 98.7 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.3 p -59.29 168.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.375 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.12 -64.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -44.46 -50.11 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.81 -45.67 74.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -64.7 -42.15 95.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.1 t80 -59.72 -52.74 64.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.38 -42.19 68.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 3.4 tt0 -60.45 -57.89 10.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD11 HD23 ' A' ' 49' ' ' LEU . 8.9 mt -52.18 -53.89 37.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -66.06 85.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -98.7 -6.57 29.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 3.9 m120 -80.4 -12.89 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 60.29 52.29 53.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.58 -56.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.19 -8.94 4.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 16.2 mm-40 -107.2 132.5 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.6 t -105.85 61.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 179.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 7' ' ' LYS . 26.3 t80 -64.3 -20.49 66.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.544 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.5 mm-40 -64.87 -54.48 30.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 56.4 mt-10 -67.33 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -59.5 -38.38 80.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.58 -13.83 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -75.89 -36.45 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.655 HD22 HD21 ' A' ' 53' ' ' LEU . 6.4 tp -74.71 -37.61 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.8 -22.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.25 -48.15 58.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -32.91 72.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 36' ' ' PHE . 11.0 mt -74.8 -9.65 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.0 p -90.15 -45.52 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.74 159.5 78.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.92 70.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -34.22 76.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 3' ' ' PRO . 9.1 mt -61.08 -42.8 99.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -62.39 -52.41 63.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -54.58 36.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.91 -48.31 63.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 23' ' ' LEU . 76.0 t80 -51.37 -56.35 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -39.18 91.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -58.65 -25.87 63.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 1.06 ' CG ' HD12 ' A' ' 31' ' ' LEU . 3.0 m-85 -95.48 -42.44 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -64.78 -20.26 66.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.1 29.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -54.61 -65.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -119.72 130.12 54.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.24 -179.74 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.48 138.01 89.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.99 -0.2 9.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -93.47 11.59 27.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 5.8 pt20 -161.76 129.14 3.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -93.31 142.59 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 m -113.65 163.53 14.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -53.59 -60.96 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -41.61 69.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -61.64 -57.46 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.937 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.84 -42.36 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HA ' HD21 ' A' ' 46' ' ' LEU . 10.4 ttpp -44.8 -55.48 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 13.1 mt -53.78 -56.44 17.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.06 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.22 -64.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 49' ' ' LEU . 45.4 mt -48.42 -23.39 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.2 tt0 -68.98 -61.71 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.56 -49.32 9.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 10.3 tp10 -47.28 -58.5 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.6 m-85 -151.47 89.59 4.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.02 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 t -88.18 -31.72 18.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -23.43 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 37' ' ' PRO . 12.0 mt -74.69 -28.53 60.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 42' ' ' GLY . 37.6 mttt -68.91 -37.17 78.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -43.07 168.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -3.89 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m -93.23 98.15 11.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.8 p -65.05 170.61 4.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -50.67 -64.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.7 -51.23 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.93 -46.95 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -60.63 -45.55 93.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -55.54 -51.18 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -43.12 95.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.77 -55.1 38.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.999 HD11 HD23 ' A' ' 49' ' ' LEU . 5.2 mt -50.39 -59.05 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.47 162.89 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -169.95 -41.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.21 -33.64 63.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.96 62.3 1.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.19 -52.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 4.72 8.85 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 11.8 pt-20 -112.05 123.98 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.748 ' O ' HG12 ' A' ' 61' ' ' VAL . 41.5 t -94.95 59.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.94 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.41 -16.14 5.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -68.3 -58.53 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.87 -29.5 67.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -60.09 -38.54 83.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.18 -18.26 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.57 -38.07 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 49' ' ' LEU . 9.1 tp -76.6 -33.27 58.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.11 -24.36 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -43.33 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -69.79 -39.21 76.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.898 HG21 ' CE2' ' A' ' 36' ' ' PHE . 7.8 mt -74.47 -6.55 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.13 -44.03 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.98 160.3 69.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -39.9 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.01 -35.45 73.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.06 -32.64 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.53 -43.24 99.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -52.69 62.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.77 -53.82 42.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 mt -54.12 -47.5 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.812 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -50.88 -54.66 22.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.2 mt-10 -61.78 -34.93 76.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -57.8 -31.22 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.877 ' CG ' HD12 ' A' ' 31' ' ' LEU . 15.0 m-85 -95.39 -37.47 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -66.4 -28.53 68.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . . . -78.55 -21.5 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.22 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.6 mt-10 -117.42 130.13 56.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.33 -179.5 7.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -53.21 141.32 41.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.566 0.803 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 1.01 8.21 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -89.52 -51.71 5.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 6.0 pm0 -95.15 128.89 42.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 mm? -86.6 167.16 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.6 m -139.88 160.1 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HG2' HD11 ' A' ' 46' ' ' LEU . 2.4 ttpt -52.22 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -42.05 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 3.7 mt-10 -59.98 -59.53 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.713 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -54.19 -42.55 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -43.84 -55.52 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.2 mt -53.27 -57.64 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.877 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.87 -64.23 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 28' ' ' LEU . 24.0 mt -47.71 -23.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -69.69 -64.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.65 -49.88 11.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tt0 -46.96 -60.57 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.3 m-85 -151.76 89.09 4.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.53 8.76 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -89.87 -27.41 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -70.03 -21.4 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.63 -25.14 59.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -71.25 -34.81 71.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -40.58 164.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.0 mtt -70.37 -4.55 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.027 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.0 m -92.63 98.21 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.9 p -60.63 169.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -51.43 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -44.78 -51.38 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.7 -46.25 74.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.09 -50.23 74.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 14.4 t80 -53.44 -51.58 62.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.8 tp10 -62.42 -52.63 62.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 tt0 -54.08 -54.56 37.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.713 HD13 HD23 ' A' ' 28' ' ' LEU . 8.8 mt -49.89 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.75 103.65 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -110.93 -19.43 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.39 -28.6 64.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.36 57.56 5.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.68 -84.68 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.26 41.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 6.7 pt-20 -156.41 118.76 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.7 t -92.29 50.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.97 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.18 -30.64 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -56.02 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.36 -31.3 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.75 -37.98 77.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -60.32 -14.99 21.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.29 -38.58 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 72' ' ' LYS . 7.5 tp -73.93 -32.64 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.5 -23.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -70.06 -48.53 57.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -69.98 -35.73 74.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.643 HG21 ' CE2' ' A' ' 36' ' ' PHE . 66.7 mt -74.83 -13.21 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -87.61 -39.92 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -79.99 159.73 70.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.04 -39.38 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -29.71 67.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -37.61 83.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 3' ' ' PRO . 12.3 mt -55.94 -44.9 78.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.62 54.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.26 -53.48 42.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.8 mt -54.16 -49.93 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.816 ' CE2' HD21 ' A' ' 23' ' ' LEU . 5.3 t80 -51.36 -54.75 23.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -40.14 94.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -26.6 61.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 1.004 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-85 -95.72 -42.56 8.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -65.19 -19.57 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.42 -23.18 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.37 -67.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.0 mt-10 -113.97 129.57 56.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.93 178.25 3.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' A' ' 21' ' ' ASN . 5.6 t70 -56.44 142.13 69.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.596 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 27.4 m120 -92.94 -1.33 56.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -144.69 123.61 12.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 mm? -87.62 158.62 18.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -128.63 159.94 33.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.85 -59.38 4.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -37.16 69.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -67.44 -59.78 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.1 tp -52.43 -34.92 50.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CG ' HD21 ' A' ' 46' ' ' LEU . 65.1 tttt -51.0 -54.78 21.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 22.4 mt -53.67 -57.47 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.004 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -49.68 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 28' ' ' LEU . 17.5 mt -48.25 -23.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -69.33 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.58 -49.58 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -47.11 -58.32 4.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.354 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.9 m-85 -151.37 89.38 4.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.644 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.05 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 p -88.95 -32.5 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -21.79 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -74.32 -28.82 61.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.94 -33.63 76.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.09 166.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.1 mtm -74.61 -2.92 28.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.8 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 p -93.74 98.35 11.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.9 p -60.2 170.78 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -50.53 -65.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.31 -48.85 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.76 -46.0 74.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -63.64 -41.15 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 5.8 t80 -59.6 -51.28 70.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.99 -41.7 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -63.22 -56.48 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -55.74 -54.47 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.13 85.1 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -0.02 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.6 p30 -93.51 13.16 22.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.41 78.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.68 -50.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.76 6.53 8.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 4.0 pt-20 -134.95 149.08 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 61' ' ' VAL . 49.8 t -112.95 52.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -44.23 165.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -48.93 -32.5 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -53.32 -53.02 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.01 -26.53 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.26 -38.8 80.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.6 -13.81 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.98 -37.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD13 HD21 ' A' ' 53' ' ' LEU . 12.1 tp -75.53 -32.47 60.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.82 -22.0 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -43.16 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -69.89 -40.56 75.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.726 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.5 mt -74.73 -6.7 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.6 t -89.98 -42.23 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -76.5 151.0 82.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -37.34 2.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -35.63 72.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -35.36 80.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 3' ' ' PRO . 57.5 mt -55.22 -43.7 74.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -66.5 -53.86 30.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.55 -59.84 8.61 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.564 1.165 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.02 -48.88 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.797 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.85 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.16 -55.17 19.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -61.71 -39.9 93.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -26.76 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.751 ' CG ' HD12 ' A' ' 31' ' ' LEU . 6.1 m-85 -95.48 -39.7 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.32 -24.4 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.31 -20.77 33.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -54.5 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -116.09 129.8 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -179.51 7.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.23 137.11 84.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -89.54 0.56 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.12 129.07 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.2 mm? -86.28 161.23 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.3 m -137.03 166.21 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' A' ' 46' ' ' LEU . 7.6 ttmt -55.94 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -43.18 81.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 110.342 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.8 mt-10 -60.09 -57.83 11.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -54.78 -43.68 73.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -42.66 -55.48 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -53.15 -57.48 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.14 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 28' ' ' LEU . 19.1 mt -47.54 -23.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.5 tt0 -70.17 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -50.07 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' OE2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -46.92 -60.96 2.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 45.9 m-85 -151.62 89.1 4.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.82 8.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -85.61 -33.06 21.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD13 HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -68.46 -19.08 64.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.31 -31.22 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.3 OUTLIER -77.0 -29.08 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.01 167.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.27 -5.01 28.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.799 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 m -97.92 98.96 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -59.17 169.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.61 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -50.85 -63.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.67 -48.37 10.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.5 mt-10 -54.92 -45.53 74.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.47 -44.07 88.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 16.0 t80 -56.24 -53.72 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 2.5 pp20? -71.39 -40.28 70.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 52.2 tt0 -58.79 -56.63 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.71 HD21 HD22 ' A' ' 69' ' ' LEU . 7.7 mt -49.95 -60.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -55.59 168.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.29 -40.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -56.75 -18.38 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 56.78 5.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 10.7 p-10 -132.86 -54.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.86 -1.36 6.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.72 125.07 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.689 ' O ' HG12 ' A' ' 61' ' ' VAL . 55.9 t -100.11 59.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.96 172.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -56.42 -17.14 7.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.7 mm-40 -68.23 -57.93 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 61' ' ' VAL . 4.5 mm-40 -60.33 -30.0 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -59.22 -39.09 81.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -60.22 -15.34 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.56 -38.97 39.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD22 HD21 ' A' ' 53' ' ' LEU . 6.8 tp -73.39 -33.1 64.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -55.25 -24.93 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -43.86 69.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -70.01 -40.49 75.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 18.2 mt -74.42 -7.01 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -41.31 11.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' N ' ' OE2' ' A' ' 5' ' ' GLU . 11.2 mttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.71 161.03 77.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.037 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -42.25 38.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 1' ' ' LYS . 5.1 pt-20 -68.37 -41.55 80.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.1 mt -52.02 -35.24 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' CE ' ' CE1' ' A' ' 63' ' ' PHE . 4.2 ttmt -69.48 -56.31 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.95 -55.36 29.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.97 -49.15 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.871 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.5 t80 -50.95 -54.96 19.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -28.95 68.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.929 ' CG ' HD12 ' A' ' 31' ' ' LEU . 4.5 m-85 -95.4 -39.26 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' HA ' ' A' ' 20' ' ' PRO . . . -66.17 -24.67 66.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 20' ' ' PRO . . . -83.7 -20.53 33.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -54.3 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 2.9 mt-10 -115.98 128.96 56.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.33 -179.54 9.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.03 137.35 83.96 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.47 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -2.77 12.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -89.8 0.71 56.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -150.39 124.06 9.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.871 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -79.43 166.0 22.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 m -140.49 163.74 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.946 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.6 ttpt -54.65 -58.73 6.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -41.37 88.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 17' ' ' GLU . 4.7 mt-10 -59.97 -57.9 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -53.86 -49.0 69.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' LEU . 3.1 ttpt -39.97 -54.99 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.7 mt -53.88 -56.23 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.929 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.89 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD13 ' CD2' ' A' ' 49' ' ' LEU . 37.1 mt -49.47 -21.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -68.77 -48.28 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.59 -53.51 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.411 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.3 tt0 -46.47 -57.58 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.765 ' CZ ' HG21 ' A' ' 73' ' ' ILE . 30.0 m-85 -150.94 89.13 4.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -3.1 13.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -15.31 59.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -64.91 -34.48 78.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.09 -2.22 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -105.46 33.72 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.63 172.59 18.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.1 mtp -75.22 -4.64 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.1 m -97.72 98.66 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.0 p -59.83 170.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.447 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -51.35 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -52.31 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -44.07 72.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.854 HD11 ' CD1' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.74 -45.6 91.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -58.66 -51.83 68.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -39.6 86.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -55.73 20.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.047 HD21 HD22 ' A' ' 69' ' ' LEU . 8.8 mt -53.61 -54.74 33.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -68.66 66.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -86.72 -2.93 58.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' ND2' ' HB3' ' A' ' 58' ' ' ASP . 49.3 p-10 -89.32 6.41 40.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 37.12 43.51 0.93 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 1.5 t0 -100.29 -42.32 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.29 -7.04 8.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.02 151.89 39.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 62' ' ' SER . 63.0 t -92.48 167.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.539 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -162.44 170.03 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' CE ' ' A' ' 7' ' ' LYS . 58.9 t80 -49.79 -24.92 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.2 mm-40 -69.99 -58.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.23 -29.68 69.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' CE1' ' OE2' ' A' ' 35' ' ' GLU . 35.8 t80 -59.5 -38.19 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.581 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 2.1 mt-30 -55.26 -18.45 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.93 -34.39 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.08 HD11 HD11 ' A' ' 39' ' ' LEU . 7.4 tp -78.97 -31.82 45.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.57 -26.3 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.349 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.32 64.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -69.72 -20.95 63.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.765 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 7.6 mt -87.91 -9.36 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -90.09 -46.59 8.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.1 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.91 160.16 69.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.82 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -40.65 69.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -32.56 70.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD22 ' HE2' ' A' ' 66' ' ' PHE . 9.5 mt -60.28 -41.44 93.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -69.95 -51.86 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.71 -60.15 9.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mt -53.9 -47.28 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.4 t80 -51.3 -55.78 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -62.01 -39.03 90.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -59.96 -21.08 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.972 ' CG ' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -43.92 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' PRO . . . -65.87 -14.58 61.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.24 -25.86 27.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -53.98 -65.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.49 129.98 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.21 177.61 13.05 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.75 140.75 80.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.96 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -96.12 6.74 48.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 60' ' ' GLU . 1.2 pm0 -154.89 130.53 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.614 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -92.87 156.21 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 m -125.93 163.91 21.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 46' ' ' LEU . 5.4 ttpt -53.64 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -40.8 73.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.234 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.82 -56.78 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD23 HD13 ' A' ' 53' ' ' LEU . 3.4 tp -53.38 -44.28 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -43.21 -55.29 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.6 mt -53.87 -57.34 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.972 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.31 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 49' ' ' LEU . 23.0 mt -49.74 -21.76 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -69.61 -54.35 14.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.41 -51.04 5.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 3.3 tp10 -47.23 -58.68 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CE2' HG21 ' A' ' 73' ' ' ILE . 29.5 m-85 -151.44 89.92 4.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -24.34 12.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -67.15 -31.92 72.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -69.22 -21.22 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 32' ' ' LEU . 97.6 mt -74.68 -26.98 60.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -69.05 -29.5 67.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -40.8 164.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtt -71.48 -3.74 22.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 0.724 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.6 m -94.37 98.49 10.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -60.04 169.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.592 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -51.75 -65.09 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.79 -52.97 7.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -44.36 72.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.18 -48.26 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 15.2 t80 -54.46 -50.84 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.96 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.35 -55.19 31.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.844 HD13 HD23 ' A' ' 28' ' ' LEU . 8.7 mt -51.27 -57.96 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -75.04 94.12 2.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 -6.92 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 37.3 p-10 -88.95 13.07 13.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.67 58.97 1.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -126.0 -60.14 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.24 -7.25 4.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' CG ' ' HB2' ' A' ' 22' ' ' GLN . 1.6 mp0 -112.03 133.19 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 0.724 . . . . 0.0 110.348 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 61' ' ' VAL . 42.7 t -100.94 60.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.25 170.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -57.16 -17.44 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.8 mm-40 -66.91 -58.21 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.59 -27.49 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.522 ' HE2' HD22 ' A' ' 6' ' ' LEU . 12.7 t80 -59.74 -39.51 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.09 -14.86 18.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.45 -38.13 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.735 HD22 HD21 ' A' ' 53' ' ' LEU . 8.5 tp -76.65 -32.44 57.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -53.09 -22.8 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -48.59 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -29.21 66.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.618 HG21 ' CE2' ' A' ' 36' ' ' PHE . 17.4 mt -74.9 -13.58 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -90.15 -40.2 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.975 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.77 163.75 63.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -28.82 69.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -36.43 83.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 10' ' ' PHE . 14.3 mt -57.44 -38.94 75.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -51.85 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.01 -58.53 14.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.3 mt -54.11 -47.19 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.738 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.6 t80 -51.02 -54.49 24.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -61.46 -36.97 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -58.89 -25.35 63.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 1.029 ' CG ' HD12 ' A' ' 31' ' ' LEU . 5.5 m-85 -95.75 -47.24 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HA ' ' A' ' 20' ' ' PRO . . . -58.6 -21.46 53.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.17 -22.67 28.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.41 -65.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.5 mt-10 -118.6 129.25 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.51 -179.58 12.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' OD1' ' HD2' ' A' ' 20' ' ' PRO . 1.8 t70 -59.92 137.57 90.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HA ' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.95 0.08 9.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -89.25 -10.01 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -141.06 131.94 25.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -90.32 154.06 19.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.6 m -128.05 162.34 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.78 -59.11 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -38.25 67.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -65.32 -58.76 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.255 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.701 HD23 HD13 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -51.33 -46.22 62.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' CB ' HD21 ' A' ' 46' ' ' LEU . 4.2 ttpm? -42.11 -55.74 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.4 mt -53.97 -55.4 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.029 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.699 ' CD1' HD22 ' A' ' 49' ' ' LEU . 41.8 mt -52.17 -20.47 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -70.26 -47.22 62.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.48 -52.93 3.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.8 ' OE1' HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.92 -56.46 6.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' CE2' HG21 ' A' ' 73' ' ' ILE . 50.2 m-85 -151.38 88.63 4.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.01 -12.87 21.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -36.67 65.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -67.84 -19.96 65.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 32' ' ' LEU . 90.6 mt -74.53 -31.26 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.07 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -69.8 -29.0 66.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -41.78 165.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.5 mtt -74.86 -3.11 29.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.753 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -95.08 98.63 10.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.3 p -59.63 170.76 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -50.19 -62.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.87 -48.78 31.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -47.9 74.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.99 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.9 -43.03 99.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 20.4 t80 -57.84 -51.04 71.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -39.62 86.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -63.43 -55.91 20.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.99 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.7 mt -54.26 -52.75 60.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -69.67 106.82 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -116.39 -7.26 11.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -86.28 -34.15 20.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.0 70.01 1.32 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -68.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.03 44.29 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 22' ' ' GLN . 1.8 pt-20 -159.75 117.9 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 110.269 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 61' ' ' VAL . 54.9 t -91.8 50.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -43.24 165.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -48.88 -32.91 9.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.82 -56.34 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.67 -30.26 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.8 -37.7 76.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -60.22 -15.28 23.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.16 -39.0 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.3 tp -74.48 -30.08 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.07 -22.25 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -48.87 58.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -31.44 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.609 HG21 ' CE2' ' A' ' 36' ' ' PHE . 13.7 mt -74.91 -10.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.4 t -90.15 -45.08 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 mptt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.93 162.5 62.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.13 2.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -24.31 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -35.1 75.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.24 -46.56 82.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -52.99 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.68 -54.47 36.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -49.23 61.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.0 t80 -51.39 -54.91 21.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 mt-10 -61.73 -36.59 81.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -28.92 57.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.927 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -95.5 -42.86 8.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -60.11 -22.27 62.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.83 33.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -54.37 -64.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 27' ' ' GLU . 3.7 mt-10 -121.5 129.49 52.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.22 -179.79 19.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -56.1 143.17 64.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 -0.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -90.14 -46.66 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 pm0 -101.35 129.47 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -89.08 162.91 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -131.47 156.12 46.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 1.7 tttt -49.98 -60.35 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.65 67.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -64.56 -61.56 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.33 -38.95 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.98 -55.75 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.7 mt -53.49 -57.23 11.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.927 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -49.41 -63.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 49' ' ' LEU . 28.1 mt -48.76 -23.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.97 -65.14 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.06 -51.41 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tp10 -46.16 -62.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 1.6 m-85 -151.17 89.51 4.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.883 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -8.19 19.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -75.29 -28.49 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -19.11 62.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 37' ' ' PRO . 8.9 mt -73.8 -26.12 60.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 42' ' ' GLY . 4.7 mttt -68.72 -38.02 79.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' LYS . . . -38.86 161.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.19 -3.15 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 p -90.76 98.31 11.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.8 p -60.45 169.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -51.58 -64.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -52.9 7.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.41 -47.03 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.737 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -58.33 -49.16 78.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.7 t80 -54.67 -51.5 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.41 -43.69 96.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.48 -54.18 49.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 28' ' ' LEU . 4.4 mt -50.77 -56.3 12.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.57 107.68 5.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -113.56 -12.31 12.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.95 -56.03 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.88 60.91 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' OD2' ' CD ' ' A' ' 60' ' ' GLU . 3.9 p-10 -137.37 -50.5 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.69 0.16 7.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -103.41 121.08 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.752 ' O ' HG12 ' A' ' 61' ' ' VAL . 48.5 t -97.17 54.47 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -48.58 166.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 110.049 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -49.21 -33.01 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' CG ' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -49.87 -55.58 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 62' ' ' SER . 2.5 mt-10 -66.67 -31.75 72.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.99 -37.66 77.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.66 -15.26 18.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.21 -41.49 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD22 HD21 ' A' ' 53' ' ' LEU . 10.2 tp -80.38 -27.52 38.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.578 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.5 t -50.23 -24.4 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -48.03 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -74.3 -14.8 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 70' ' ' VAL . 96.8 mt -80.22 -35.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -39.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 2' ' ' SER . 59.6 pttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -59.85 175.73 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.07 -35.86 2.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -45.86 67.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -32.43 73.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 3' ' ' PRO . 25.3 mt -63.4 -38.37 90.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HD3' ' CE1' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -59.82 -62.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.98 -54.51 30.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -53.67 -51.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 7.0 t80 -50.9 -55.34 17.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -62.36 -37.59 86.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -55.67 -31.16 62.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.5 m-85 -94.83 -34.15 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -67.77 -26.08 65.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.12 -20.17 30.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -53.53 -66.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 27' ' ' GLU . 3.2 mt-10 -117.55 127.83 54.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.37 -179.86 14.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.22 137.85 84.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.96 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -89.5 2.85 54.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -150.98 130.3 12.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -85.49 161.59 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -139.17 163.02 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -53.71 -56.74 14.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -42.15 95.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' OE2' ' O ' ' A' ' 13' ' ' TYR . 4.7 mt-10 -59.95 -59.02 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -53.73 -46.09 70.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' CD2' ' A' ' 46' ' ' LEU . 66.1 tttt -40.51 -54.76 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -53.32 -57.59 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CG ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -50.12 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 HD22 ' A' ' 49' ' ' LEU . 46.0 mt -47.47 -23.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.3 tt0 -69.12 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -49.49 10.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 36' ' ' PHE . 9.6 tp10 -47.05 -59.16 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' HE2' HD13 ' A' ' 73' ' ' ILE . 17.7 m-85 -151.4 89.44 4.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.7 8.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -93.99 -32.59 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.35 -21.58 65.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.3 -30.12 61.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -66.35 -32.03 73.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -42.63 167.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.34 -3.98 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.9 m -89.68 98.21 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.1 p -64.88 169.83 4.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 29' ' ' LYS . 6.6 tp -51.52 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -52.2 8.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -54.75 -46.46 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -65.23 -44.79 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.31 -53.55 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -38.28 81.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 36.7 tt0 -62.95 -54.92 31.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.406 HD21 HD22 ' A' ' 69' ' ' LEU . 7.9 mt -57.14 -51.75 68.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -74.73 100.47 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -9.03 11.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 33.0 p30 -88.73 13.31 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.72 64.8 0.6 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -131.14 -52.52 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.4 28.83 2.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 22' ' ' GLN . 1.8 pt-20 -148.8 127.2 12.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG22 ' OE1' ' A' ' 65' ' ' GLU . 67.7 t -97.55 65.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.31 178.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CE1' ' HD3' ' A' ' 7' ' ' LYS . 53.5 t80 -58.41 -20.26 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 2.6 mm-40 -66.95 -58.32 5.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 61' ' ' VAL . 89.8 mt-10 -58.75 -28.33 65.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 48.4 t80 -59.86 -41.13 90.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -60.27 -14.25 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -78.16 -39.89 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD21 HD21 ' A' ' 49' ' ' LEU . 7.3 tp -76.84 -29.75 56.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.861 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.7 t -54.3 -29.51 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.52 -46.09 60.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -76.58 -9.92 59.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 70' ' ' VAL . 22.9 mt -74.98 -49.17 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 t -76.58 -40.85 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.939 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_